1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone

C14H19NO — CID 43176941

IUPAC1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCCC2C)cc1
InChIInChI=1S/C14H19NO/c1-11-5-3-4-10-15(11)14-8-6-13(7-9-14)12(2)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyQBRBYMGYQOXMEU-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.27
Rot. Bonds2

About 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone

1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone (PubChem CID 43176941) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
PubChem CID43176941
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCCCC2C)cc1
InChIInChI=1S/C14H19NO/c1-11-5-3-4-10-15(11)14-8-6-13(7-9-14)12(2)16/h6-9,11H,3-5,10H2,1-2H3
InChIKeyQBRBYMGYQOXMEU-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]ethanone
CID 102726719
N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-propan-2-ylbenzamide
CID 26018303
3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]naphthalene-2-carboxamide
CID 40922093
5-(2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 115490753
N-[4-(2-methylpiperidin-1-yl)phenyl]formamide
CID 168652769
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
1-[4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]ethanone
CID 62469358
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
4-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116461
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone (CID 43176941) is 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCCCC2C)cc1.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is QBRBYMGYQOXMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-3-4-10-15(11)14-8-6-13(7-9-14)12(2)16/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone?
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 217.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 43176941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).