4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol

C16H23NO — CID 106131728

IUPAC4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-6-13(7-9-16)10-17-11-15(12-17)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2
InChIKeyAACIOOUKMUTTAG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.64
Rot. Bonds3

About 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol

4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 106131728) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID106131728
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(CN2CC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H23NO/c18-16-8-6-13(7-9-16)10-17-11-15(12-17)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2
InChIKeyAACIOOUKMUTTAG-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
3-(cyclopropylmethyl)-8-phenyl-3-azabicyclo[3.2.1]octane
CID 90986879
4-phenylcycloheptan-1-ol
CID 86167768
2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 79688831
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520
4-phenyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119931344
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
1-[[(3S,4S)-1-(cyclohexylmethyl)-4-phenylpyrrolidin-3-yl]methyl]-3-phenylpiperidine
CID 101147365
4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
CID 106131776
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
2-methyl-1-(3-phenylazetidin-1-yl)propan-2-ol
CID 104549809

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol (CID 106131728) is 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol is OC1CCC(CN2CC(c3ccccc3)C2)CC1.
What is the InChIKey of 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is AACIOOUKMUTTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16-8-6-13(7-9-16)10-17-11-15(12-17)14-4-2-1-3-5-14/h1-5,13,15-16,18H,6-12H2.
What are the key properties of 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).