(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C14H18ClNO2 — CID 113351034

IUPAC(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CO)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-8-11(5-6-13(10)15)14(18)16-7-3-2-4-12(16)9-17/h5-6,8,12,17H,2-4,7,9H2,1H3
InChIKeyVBDCUJHKPMATRM-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.64
Rot. Bonds2

About (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 113351034) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID113351034
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CO)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-8-11(5-6-13(10)15)14(18)16-7-3-2-4-12(16)9-17/h5-6,8,12,17H,2-4,7,9H2,1H3
InChIKeyVBDCUJHKPMATRM-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
(4-chloro-3-methylphenyl)-[2-(3-chloropropyl)pyrrolidin-1-yl]methanone
CID 113397336
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580275
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
[2-(bromomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 80659471
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(3-amino-4-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210089
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
[2-(hydroxymethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 43421306
(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 113351034) is (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCCC2CO)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is VBDCUJHKPMATRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-8-11(5-6-13(10)15)14(18)16-7-3-2-4-12(16)9-17/h5-6,8,12,17H,2-4,7,9H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 267.76 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113351034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).