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(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol

C22H35NO — CID 118711887

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol
SMILESC[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1
InChIInChI=1S/C22H35NO/c1-18-17-23(15-13-21(24)19-9-5-3-6-10-19)16-14-22(18,2)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,24H,3,5-6,9-10,13-17H2,1-2H3/t18-,21-,22+/m0/s1
InChIKeyYOLFDRKFPCNCDT-YUXAGFNASA-N
MW329.53 g/mol
LogP4.62
Rot. Bonds5

About (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol

(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol (PubChem CID 118711887) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol
PubChem CID118711887
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol
SMILESC[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1
InChIInChI=1S/C22H35NO/c1-18-17-23(15-13-21(24)19-9-5-3-6-10-19)16-14-22(18,2)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,24H,3,5-6,9-10,13-17H2,1-2H3/t18-,21-,22+/m0/s1
InChIKeyYOLFDRKFPCNCDT-YUXAGFNASA-N
XLogP4.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol?
The IUPAC name of (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol (CID 118711887) is (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol?
The canonical SMILES for (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol is C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1ccccc1.
What is the InChIKey of (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol?
The InChIKey is YOLFDRKFPCNCDT-YUXAGFNASA-N. The full InChI is InChI=1S/C22H35NO/c1-18-17-23(15-13-21(24)19-9-5-3-6-10-19)16-14-22(18,2)20-11-7-4-8-12-20/h4,7-8,11-12,18-19,21,24H,3,5-6,9-10,13-17H2,1-2H3/t18-,21-,22+/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol?
(1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol has a molecular weight of 329.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-3-[(3R,4R)-3,4-dimethyl-4-phenylpiperidin-1-yl]propan-1-ol is sourced from PubChem (CID 118711887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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