1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone

C14H19NO — CID 668860

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
SMILESC[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-12-6-5-9-15(11-12)14(16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyMWJUIOVZXZYXQX-LBPRGKRZSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone

1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone (PubChem CID 668860) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
PubChem CID668860
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
SMILESC[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-12-6-5-9-15(11-12)14(16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyMWJUIOVZXZYXQX-LBPRGKRZSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
(3S,4S)-4-methyl-1-[1-(2-phenylacetyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120952273
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone (CID 668860) is 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone is C[C@H]1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is MWJUIOVZXZYXQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO/c1-12-6-5-9-15(11-12)14(16)10-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone?
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 668860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).