(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone

C17H25NO — CID 116569681

IUPAC(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cccc(C)c2C)CCCNC1
InChIInChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-12-17)16(19)15-8-5-7-13(2)14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeySMFFVESYUCNSSI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.66
Rot. Bonds4

About (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone

(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569681) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID116569681
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2cccc(C)c2C)CCCNC1
InChIInChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-12-17)16(19)15-8-5-7-13(2)14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3
InChIKeySMFFVESYUCNSSI-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 262634
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Phenyl(piperidin-4-yl)methanone
CID 226102
4-(4-Methylbenzoyl)piperidine hydrochloride
CID 2740817
3,4-Dimethylmethcathinone
CID 52988261
4-Acetyl-4-phenylpiperidine
CID 101521
Cambridge id 5314153
CID 2841053
1-[3-((S)-1-Propyl-piperidin-3-yl)-phenyl]-ethanone
CID 10377227
1-(4-Phenyl-4-piperidyl)propan-1-one hydrochloride
CID 197939
3-Methylethcathinone
CID 91696119
4-(4-Butyl-1-piperidinyl)-1-(2-methylphenyl)-1-butanone Hydrochloride
CID 9949717
1-phenyl-3-[[(2R)-1-phenylpropan-2-yl]amino]propan-1-one
CID 14831249

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone (CID 116569681) is (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2cccc(C)c2C)CCCNC1.
What is the InChIKey of (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is SMFFVESYUCNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-9-17(10-6-11-18-12-17)16(19)15-8-5-7-13(2)14(15)3/h5,7-8,18H,4,6,9-12H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone?
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 259.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).