8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H18ClNO — CID 55236052

IUPAC8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9H2
InChIKeyWGNORGLRYGEYDR-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.83
Rot. Bonds2

About 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55236052) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55236052
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9H2
InChIKeyWGNORGLRYGEYDR-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55243758
2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
CID 105346038
8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769607
8-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768752
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
8-[[6-(methylamino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769443
8-(1,2-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768888
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162634414
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79673727
5-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzonitrile
CID 65344235

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55236052) is 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WGNORGLRYGEYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-11-3-1-10(2-4-11)9-16-12-5-6-13(16)8-14(17)7-12/h1-4,12-14,17H,5-9H2.
What are the key properties of 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55236052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).