2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol

C20H23Cl2NO — CID 10044290

IUPAC2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
SMILESOCC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17?,20-/m0/s1
InChIKeyNRJOAYKSGZHTCR-OZBJMMHXSA-N
MW364.32 g/mol
LogP5.12
Rot. Bonds5

About 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol

2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol (PubChem CID 10044290) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
PubChem CID10044290
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
SMILESOCC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17?,20-/m0/s1
InChIKeyNRJOAYKSGZHTCR-OZBJMMHXSA-N
XLogP5.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol 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

2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
2-phenyl-2-[1-(2-phenylethyl)piperidin-2-yl]ethanol
CID 75969231
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
2-(3,4-dichlorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986396
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
CID 22235333
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
[(2R)-1-benzylpiperidin-2-yl]-hydroxymethanesulfonic acid;tungsten
CID 59075959
(3R)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(cyclopropylamino)propan-1-ol
CID 97169769
2-(3,4-dichlorophenyl)-2-piperidin-2-ylethanol
CID 73309636
(3S)-3-[(2R)-1-benzylpiperidin-2-yl]-3-(ethylamino)propan-1-ol
CID 97177449
3-(1-benzylpiperidin-2-yl)-2-methylpropan-1-ol
CID 83982303
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol (CID 10044290) is 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol is OCC(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is NRJOAYKSGZHTCR-OZBJMMHXSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17?,20-/m0/s1.
What are the key properties of 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 364.32 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 10044290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).