(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

C19H27ClN2O2 — CID 99932218

IUPAC(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)ccc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-14-11-16(4-5-18(14)20)19(24)21-9-6-17(7-10-21)22-8-2-3-15(12-22)13-23/h4-5,11,15,17,23H,2-3,6-10,12-13H2,1H3/t15-/m1/s1
InChIKeyARBMYZJSANZSRY-OAHLLOKOSA-N
MW350.89 g/mol
LogP2.96
Rot. Bonds3

About (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone

(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 99932218) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID99932218
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)ccc1Cl
InChIInChI=1S/C19H27ClN2O2/c1-14-11-16(4-5-18(14)20)19(24)21-9-6-17(7-10-21)22-8-2-3-15(12-22)13-23/h4-5,11,15,17,23H,2-3,6-10,12-13H2,1H3/t15-/m1/s1
InChIKeyARBMYZJSANZSRY-OAHLLOKOSA-N
XLogP2.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 118780016
(4-chloro-3-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136514621
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 113351034
(4-chloro-3-methylphenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 112701154
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99928743
(4-fluoro-3-methylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55163647

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 99932218) is (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(N3CCC[C@@H](CO)C3)CC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is ARBMYZJSANZSRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14-11-16(4-5-18(14)20)19(24)21-9-6-17(7-10-21)22-8-2-3-15(12-22)13-23/h4-5,11,15,17,23H,2-3,6-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 350.89 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 99932218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).