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4-{5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyrimidin-2-yl}morpholine

ChemBase ID: 341648
Molecular Formular: C22H28N4O2
Molecular Mass: 380.48332
Monoisotopic Mass: 380.22122616
SMILES and InChIs

SMILES:
c1(ncc(C(=O)N2CCC(CC2)CCc2ccccc2)cn1)N1CCOCC1
Canonical SMILES:
O=C(c1cnc(nc1)N1CCOCC1)N1CCC(CC1)CCc1ccccc1
InChI:
InChI=1S/C22H28N4O2/c27-21(20-16-23-22(24-17-20)26-12-14-28-15-13-26)25-10-8-19(9-11-25)7-6-18-4-2-1-3-5-18/h1-5,16-17,19H,6-15H2
InChIKey:
VPIFPXGKBQPAHV-UHFFFAOYSA-N

Cite this record

CBID:341648 http://www.chembase.cn/molecule-341648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyrimidin-2-yl}morpholine
IUPAC Traditional name
4-{5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyrimidin-2-yl}morpholine
Synonyms
4-(5-{[4-(2-phenylethyl)-1-piperidinyl]carbonyl}-2-pyrimidinyl)morpholine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14048933 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.076334  LogD (pH = 7.4) 3.076383 
Log P 3.0763838  Molar Refractivity 111.0308 cm3
Polarizability 41.52539 Å3 Polar Surface Area 58.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.7  LOG S -4.28 
Polar Surface Area 58.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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