1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane

C21H34INO — CID 21127105

IUPAC1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
SMILESCI.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H31NO.CH3I/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;1-2/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H3
InChIKeyVZULEYRTNGJZCF-UHFFFAOYSA-N
MW443.41 g/mol
LogP5.38
Rot. Bonds5

About 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane

1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane (PubChem CID 21127105) has the molecular formula C21H34INO and a molecular weight of 443.41 g/mol. Its IUPAC name is 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane.

Molecular Properties

Compound Name1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
PubChem CID21127105
Molecular FormulaC21H34INO
Molecular Weight443.41 g/mol
Exact Mass443.17
IUPAC Name1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
SMILESCI.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H31NO.CH3I/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;1-2/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H3
InChIKeyVZULEYRTNGJZCF-UHFFFAOYSA-N
XLogP5.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
CID 134827932
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
(1S)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol;(1R)-1-(2-bicyclo[2.2.1]hept-5-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 160785140
1-cyclohexyl-4-(dimethylamino)-1-phenylbutan-1-ol
CID 19816197
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol iodide
CID 169441280
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanamide;oxalic acid
CID 24842549
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane?
The IUPAC name of 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane (CID 21127105) is 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane.
What is the SMILES notation for 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane?
The canonical SMILES for 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane is CI.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane?
The InChIKey is VZULEYRTNGJZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO.CH3I/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;1-2/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H3.
What are the key properties of 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane?
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane has a molecular weight of 443.41 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane is sourced from PubChem (CID 21127105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).