azepan-4-yl-(4-chlorophenyl)methanol

C13H18ClNO — CID 84701681

IUPACazepan-4-yl-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C1CCCNCC1
InChIInChI=1S/C13H18ClNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9H2
InChIKeyRTGBLAMNXLQECV-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.76
Rot. Bonds2

About azepan-4-yl-(4-chlorophenyl)methanol

azepan-4-yl-(4-chlorophenyl)methanol (PubChem CID 84701681) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is azepan-4-yl-(4-chlorophenyl)methanol.

Molecular Properties

Compound Nameazepan-4-yl-(4-chlorophenyl)methanol
PubChem CID84701681
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Nameazepan-4-yl-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)C1CCCNCC1
InChIInChI=1S/C13H18ClNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9H2
InChIKeyRTGBLAMNXLQECV-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminophenyl)-(azepan-4-yl)methanol
CID 84686059
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
4-[hydroxy(piperidin-4-yl)methyl]benzoic acid
CID 105496132
(4-chloro-3-methylphenyl)-piperidin-4-ylmethanol
CID 82341457
1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119780448
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119321794
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676

Frequently Asked Questions

What is the IUPAC name of azepan-4-yl-(4-chlorophenyl)methanol?
The IUPAC name of azepan-4-yl-(4-chlorophenyl)methanol (CID 84701681) is azepan-4-yl-(4-chlorophenyl)methanol.
What is the SMILES notation for azepan-4-yl-(4-chlorophenyl)methanol?
The canonical SMILES for azepan-4-yl-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)C1CCCNCC1.
What is the InChIKey of azepan-4-yl-(4-chlorophenyl)methanol?
The InChIKey is RTGBLAMNXLQECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-5-3-11(4-6-12)13(16)10-2-1-8-15-9-7-10/h3-6,10,13,15-16H,1-2,7-9H2.
What are the key properties of azepan-4-yl-(4-chlorophenyl)methanol?
azepan-4-yl-(4-chlorophenyl)methanol has a molecular weight of 239.75 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-yl-(4-chlorophenyl)methanol is sourced from PubChem (CID 84701681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).