(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride

C20H32ClNO — CID 139079570

IUPAC(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
SMILESO[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C20H31NO.ClH/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;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H/t20-;/m1./s1
InChIKeyQDWJJTJNXAKQKD-VEIFNGETSA-N
MW337.94 g/mol
LogP-0.08
Rot. Bonds5

About (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride

(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride (PubChem CID 139079570) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
PubChem CID139079570
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC Name(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride
SMILESO[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C20H31NO.ClH/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;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H/t20-;/m1./s1
InChIKeyQDWJJTJNXAKQKD-VEIFNGETSA-N
XLogP-0.08
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.94
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride 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

Biperiden
CID 2381
Trihexyphenidyl
CID 5572
Procyclidine
CID 4919
Pridinol
CID 4904
Diphenidol
CID 3055
Trihexyphenidyl Hydrochloride
CID 66007
Azacyclonol
CID 15723
Diphenidol Hydrochloride
CID 66266
Biperiden Hydrochloride
CID 92151
Pipradrol
CID 10083
Procyclidine hydrochloride
CID 207841
Cycrimine
CID 2911

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride?
The IUPAC name of (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride (CID 139079570) is (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride.
What is the SMILES notation for (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride?
The canonical SMILES for (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride is O[C@](CC[NH+]1CCCCC1)(c1ccccc1)C1CCCCC1.[Cl-].
What is the InChIKey of (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride?
The InChIKey is QDWJJTJNXAKQKD-VEIFNGETSA-N. The full InChI is InChI=1S/C20H31NO.ClH/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;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H/t20-;/m1./s1.
What are the key properties of (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride?
(1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride has a molecular weight of 337.94 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-1-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol chloride is sourced from PubChem (CID 139079570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).