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2-methyl-5-[3-(piperidin-1-yl)pyrrolidine-1-carbonyl]phenol

ChemBase ID: 340493
Molecular Formular: C17H24N2O2
Molecular Mass: 288.38466
Monoisotopic Mass: 288.18377802
SMILES and InChIs

SMILES:
N1(C(=O)c2cc(c(cc2)C)O)CC(N2CCCCC2)CC1
Canonical SMILES:
O=C(c1ccc(c(c1)O)C)N1CCC(C1)N1CCCCC1
InChI:
InChI=1S/C17H24N2O2/c1-13-5-6-14(11-16(13)20)17(21)19-10-7-15(12-19)18-8-3-2-4-9-18/h5-6,11,15,20H,2-4,7-10,12H2,1H3
InChIKey:
ALQMTAVBUPYVQR-UHFFFAOYSA-N

Cite this record

CBID:340493 http://www.chembase.cn/molecule-340493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-[3-(piperidin-1-yl)pyrrolidine-1-carbonyl]phenol
IUPAC Traditional name
2-methyl-5-[3-(piperidin-1-yl)pyrrolidine-1-carbonyl]phenol
Synonyms
2-methyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)carbonyl]phenol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.319465  H Acceptors
H Donor LogD (pH = 5.5) -0.65511745 
LogD (pH = 7.4) 1.0680971  Log P 1.9326512 
Molar Refractivity 84.6796 cm3 Polarizability 32.17042 Å3
Polar Surface Area 43.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -1.98 
Polar Surface Area 43.78 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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