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1-(4-methylpiperidine-4-carbonyl)-4-(2-phenoxyethyl)piperazine

ChemBase ID: 340827
Molecular Formular: C19H29N3O2
Molecular Mass: 331.45246
Monoisotopic Mass: 331.22597718
SMILES and InChIs

SMILES:
C(=O)(N1CCN(CC1)CCOc1ccccc1)C1(CCNCC1)C
Canonical SMILES:
O=C(C1(C)CCNCC1)N1CCN(CC1)CCOc1ccccc1
InChI:
InChI=1S/C19H29N3O2/c1-19(7-9-20-10-8-19)18(23)22-13-11-21(12-14-22)15-16-24-17-5-3-2-4-6-17/h2-6,20H,7-16H2,1H3
InChIKey:
CZMOAGIECKYROY-UHFFFAOYSA-N

Cite this record

CBID:340827 http://www.chembase.cn/molecule-340827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methylpiperidine-4-carbonyl)-4-(2-phenoxyethyl)piperazine
IUPAC Traditional name
1-(4-methylpiperidine-4-carbonyl)-4-(2-phenoxyethyl)piperazine
Synonyms
1-[(4-methyl-4-piperidinyl)carbonyl]-4-(2-phenoxyethyl)piperazine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13932983 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) -2.8130882  LogD (pH = 7.4) -1.1200871 
Log P 1.5678252  Molar Refractivity 95.7942 cm3
Polarizability 37.75111 Å3 Polar Surface Area 44.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.18  LOG S -3.48 
Polar Surface Area 44.81 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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