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

C17H25NO — CID 104549999

IUPAC3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CN2CC(c3ccccc3)C2)C1
InChIInChI=1S/C17H25NO/c1-14-6-5-9-17(19,10-14)13-18-11-16(12-18)15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyFIEJEQRGLRFXJX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.03
Rot. Bonds3

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

3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol (PubChem CID 104549999) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
PubChem CID104549999
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCCC(O)(CN2CC(c3ccccc3)C2)C1
InChIInChI=1S/C17H25NO/c1-14-6-5-9-17(19,10-14)13-18-11-16(12-18)15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3
InChIKeyFIEJEQRGLRFXJX-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((3,3-Diphenylpropyl)(methyl)amino)-2-methyl-2-propanol
CID 10851563
1-[1-(Phenyl)-2-dimethylaminoethyl]cyclohexanol
CID 13520306
1-Methyl-2-(4-phenyl-piperidin-1-yl)-cyclohexanol
CID 44274109
Benzeneethanol, alpha-((diethylamino)methyl)-alpha-(phenylmethyl)-
CID 3054346
Cyclohexanol, 1-methyl-2-(4-phenyl-1-piperidinyl)-, trans-(+-)-
CID 3078232
1-[(4-Benzylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 71854319
2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol
CID 344209
1-[(1S)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
CID 92846014
(2S,3S)-1,1-dibenzyl-3-methyl-2-(2-methylpropyl)azetidin-1-ium-3-ol chloride
CID 10546411
[(2S,3S,4S)-1,1,4-trimethyl-3-phenylazetidin-1-ium-2-yl]methanol
CID 12189608
1-[(1R)-2-(dimethylamino)-1-phenylethyl]cyclohexan-1-ol
CID 92846013
[(2R,3S,4S)-1,4-dimethyl-3-phenylazetidin-2-yl]methanol
CID 101250937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol (CID 104549999) is 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol is CC1CCCC(O)(CN2CC(c3ccccc3)C2)C1.
What is the InChIKey of 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is FIEJEQRGLRFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-6-5-9-17(19,10-14)13-18-11-16(12-18)15-7-3-2-4-8-15/h2-4,7-8,14,16,19H,5-6,9-13H2,1H3.
What are the key properties of 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol?
3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104549999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).