(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone

C22H27ClN2O2 — CID 154755932

IUPAC(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(O)CNC2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H27ClN2O2/c1-15-11-16(2)13-17(12-15)21(26)14-24-18-7-9-25(10-8-18)22(27)19-5-3-4-6-20(19)23/h3-6,11-13,18,21,24,26H,7-10,14H2,1-2H3
InChIKeyHCSRQVMHPPGAMD-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.88
Rot. Bonds5

About (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone

(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone (PubChem CID 154755932) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
PubChem CID154755932
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(O)CNC2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H27ClN2O2/c1-15-11-16(2)13-17(12-15)21(26)14-24-18-7-9-25(10-8-18)22(27)19-5-3-4-6-20(19)23/h3-6,11-13,18,21,24,26H,7-10,14H2,1-2H3
InChIKeyHCSRQVMHPPGAMD-UHFFFAOYSA-N
XLogP3.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone 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-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
2-chloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]propanamide
CID 108564176
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]piperidin-1-yl]methanone
CID 128995391
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
1-(4-amino-2-chlorobenzoyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119697609
(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 6456860

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone (CID 154755932) is (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone is Cc1cc(C)cc(C(O)CNC2CCN(C(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone?
The InChIKey is HCSRQVMHPPGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-15-11-16(2)13-17(12-15)21(26)14-24-18-7-9-25(10-8-18)22(27)19-5-3-4-6-20(19)23/h3-6,11-13,18,21,24,26H,7-10,14H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone has a molecular weight of 386.92 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154755932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).