4-(azepan-2-yl)azepan-4-ol

C12H24N2O — CID 103982887

IUPAC4-(azepan-2-yl)azepan-4-ol
SMILESOC1(C2CCCCCN2)CCCNCC1
InChIInChI=1S/C12H24N2O/c15-12(6-4-8-13-10-7-12)11-5-2-1-3-9-14-11/h11,13-15H,1-10H2
InChIKeyFKRPVXNAEXNLMJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.02
Rot. Bonds1

About 4-(azepan-2-yl)azepan-4-ol

4-(azepan-2-yl)azepan-4-ol (PubChem CID 103982887) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-(azepan-2-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(azepan-2-yl)azepan-4-ol
PubChem CID103982887
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-(azepan-2-yl)azepan-4-ol
SMILESOC1(C2CCCCCN2)CCCNCC1
InChIInChI=1S/C12H24N2O/c15-12(6-4-8-13-10-7-12)11-5-2-1-3-9-14-11/h11,13-15H,1-10H2
InChIKeyFKRPVXNAEXNLMJ-UHFFFAOYSA-N
XLogP1.02
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
4-cyclopentylazepan-4-ol
CID 83684103
3-[(2R)-piperidin-2-yl]azetidin-3-ol
CID 89166884
1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
CID 65095040
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460
4-cyclohexylpiperidin-4-ol
CID 44598718
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
CID 65077274
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
CID 124667692
1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314996

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-2-yl)azepan-4-ol?
The IUPAC name of 4-(azepan-2-yl)azepan-4-ol (CID 103982887) is 4-(azepan-2-yl)azepan-4-ol.
What is the SMILES notation for 4-(azepan-2-yl)azepan-4-ol?
The canonical SMILES for 4-(azepan-2-yl)azepan-4-ol is OC1(C2CCCCCN2)CCCNCC1.
What is the InChIKey of 4-(azepan-2-yl)azepan-4-ol?
The InChIKey is FKRPVXNAEXNLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c15-12(6-4-8-13-10-7-12)11-5-2-1-3-9-14-11/h11,13-15H,1-10H2.
What are the key properties of 4-(azepan-2-yl)azepan-4-ol?
4-(azepan-2-yl)azepan-4-ol has a molecular weight of 212.34 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-2-yl)azepan-4-ol is sourced from PubChem (CID 103982887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).