(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone

C22H26ClNO3 — CID 25283002

IUPAC(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C22H26ClNO3/c1-16-13-19(23)6-9-21(16)22(26)18-3-2-10-24(15-18)14-17-4-7-20(8-5-17)27-12-11-25/h4-9,13,18,25H,2-3,10-12,14-15H2,1H3/t18-/m0/s1
InChIKeyLKBCGTZWCQSXQF-SFHVURJKSA-N
MW387.91 g/mol
LogP4.11
Rot. Bonds7

About (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone

(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone (PubChem CID 25283002) has the molecular formula C22H26ClNO3 and a molecular weight of 387.91 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
PubChem CID25283002
Molecular FormulaC22H26ClNO3
Molecular Weight387.91 g/mol
Exact Mass387.16
IUPAC Name(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
SMILESCc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C22H26ClNO3/c1-16-13-19(23)6-9-21(16)22(26)18-3-2-10-24(15-18)14-17-4-7-20(8-5-17)27-12-11-25/h4-9,13,18,25H,2-3,10-12,14-15H2,1H3/t18-/m0/s1
InChIKeyLKBCGTZWCQSXQF-SFHVURJKSA-N
XLogP4.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-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

N-[4-[[(3R)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26407394
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]phenyl]imidazolidin-2-one
CID 26395084
1-[4-[[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 42564503
(4-chloro-2-methylphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanone
CID 45205723
(4-chloro-2-methylphenyl)-[(3R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42344821
(2,4-dimethoxyphenyl)-[(3R)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-yl]methanone
CID 25492240
[1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-(4-chloro-2-methylphenyl)methanone
CID 45169417
(4-chloro-2-methylphenyl)-[(3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 25395976
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45225604
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone (CID 25283002) is (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone is Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone?
The InChIKey is LKBCGTZWCQSXQF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26ClNO3/c1-16-13-19(23)6-9-21(16)22(26)18-3-2-10-24(15-18)14-17-4-7-20(8-5-17)27-12-11-25/h4-9,13,18,25H,2-3,10-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone?
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone has a molecular weight of 387.91 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 25283002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).