(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C15H21NO2 — CID 42883607

IUPAC(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H21NO2/c1-11-6-12(2)8-14(7-11)15(18)16-5-3-4-13(9-16)10-17/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyBPMCZRNMJHZQCB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.15
Rot. Bonds2

About (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 42883607) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID42883607
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(C)cc(C(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C15H21NO2/c1-11-6-12(2)8-14(7-11)15(18)16-5-3-4-13(9-16)10-17/h6-8,13,17H,3-5,9-10H2,1-2H3
InChIKeyBPMCZRNMJHZQCB-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-4-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589508
[3-(aminomethyl)piperidin-1-yl]-(3-fluoro-5-methylphenyl)methanone;hydrochloride
CID 119464798
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110633275
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(4-chloro-1-methylpyrrol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422200
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 42883607) is (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cc(C)cc(C(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is BPMCZRNMJHZQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-12(2)8-14(7-11)15(18)16-5-3-4-13(9-16)10-17/h6-8,13,17H,3-5,9-10H2,1-2H3.
What are the key properties of (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42883607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).