(3,4-dimethylpiperidin-1-yl)-phenylmethanone

C14H19NO — CID 115871745

IUPAC(3,4-dimethylpiperidin-1-yl)-phenylmethanone
SMILESCC1CCN(C(=O)c2ccccc2)CC1C
InChIInChI=1S/C14H19NO/c1-11-8-9-15(10-12(11)2)14(16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyMQVXTWAZNOQYFM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.80
Rot. Bonds1

About (3,4-dimethylpiperidin-1-yl)-phenylmethanone

(3,4-dimethylpiperidin-1-yl)-phenylmethanone (PubChem CID 115871745) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3,4-dimethylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-dimethylpiperidin-1-yl)-phenylmethanone
PubChem CID115871745
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3,4-dimethylpiperidin-1-yl)-phenylmethanone
SMILESCC1CCN(C(=O)c2ccccc2)CC1C
InChIInChI=1S/C14H19NO/c1-11-8-9-15(10-12(11)2)14(16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyMQVXTWAZNOQYFM-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3,4-dimethylpiperidin-1-yl)-phenylmethanone 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

(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321
(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104629925
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
(4-methylsulfanylpiperidin-1-yl)-phenylmethanone
CID 58285191
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
(7-benzoyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
CID 22336071

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (3,4-dimethylpiperidin-1-yl)-phenylmethanone (CID 115871745) is (3,4-dimethylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3,4-dimethylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (3,4-dimethylpiperidin-1-yl)-phenylmethanone is CC1CCN(C(=O)c2ccccc2)CC1C.
What is the InChIKey of (3,4-dimethylpiperidin-1-yl)-phenylmethanone?
The InChIKey is MQVXTWAZNOQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-9-15(10-12(11)2)14(16)13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of (3,4-dimethylpiperidin-1-yl)-phenylmethanone?
(3,4-dimethylpiperidin-1-yl)-phenylmethanone has a molecular weight of 217.31 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 115871745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).