1-benzyl-3-cyclopentylazepan-3-ol

C18H27NO — CID 83826093

IUPAC1-benzyl-3-cyclopentylazepan-3-ol
SMILESOC1(C2CCCC2)CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27NO/c20-18(17-10-4-5-11-17)12-6-7-13-19(15-18)14-16-8-2-1-3-9-16/h1-3,8-9,17,20H,4-7,10-15H2
InChIKeyMOFVBYSOFTVUBT-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.59
Rot. Bonds3

About 1-benzyl-3-cyclopentylazepan-3-ol

1-benzyl-3-cyclopentylazepan-3-ol (PubChem CID 83826093) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-benzyl-3-cyclopentylazepan-3-ol.

Molecular Properties

Compound Name1-benzyl-3-cyclopentylazepan-3-ol
PubChem CID83826093
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-benzyl-3-cyclopentylazepan-3-ol
SMILESOC1(C2CCCC2)CCCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H27NO/c20-18(17-10-4-5-11-17)12-6-7-13-19(15-18)14-16-8-2-1-3-9-16/h1-3,8-9,17,20H,4-7,10-15H2
InChIKeyMOFVBYSOFTVUBT-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
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1-benzyl-3-methylpiperidin-3-ol
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CID 40562487
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
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(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
(3R)-1-benzylazepan-3-ol
CID 124585423
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
2-[(3-chlorophenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
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1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopentylazepan-3-ol?
The IUPAC name of 1-benzyl-3-cyclopentylazepan-3-ol (CID 83826093) is 1-benzyl-3-cyclopentylazepan-3-ol.
What is the SMILES notation for 1-benzyl-3-cyclopentylazepan-3-ol?
The canonical SMILES for 1-benzyl-3-cyclopentylazepan-3-ol is OC1(C2CCCC2)CCCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-cyclopentylazepan-3-ol?
The InChIKey is MOFVBYSOFTVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(17-10-4-5-11-17)12-6-7-13-19(15-18)14-16-8-2-1-3-9-16/h1-3,8-9,17,20H,4-7,10-15H2.
What are the key properties of 1-benzyl-3-cyclopentylazepan-3-ol?
1-benzyl-3-cyclopentylazepan-3-ol has a molecular weight of 273.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopentylazepan-3-ol is sourced from PubChem (CID 83826093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).