1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone

C19H29NO — CID 58070197

IUPAC1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone
SMILESCCCCN1CCCCC1C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C19H29NO/c1-4-5-12-20-13-7-6-11-18(20)19(21)14-17-15(2)9-8-10-16(17)3/h8-10,18H,4-7,11-14H2,1-3H3
InChIKeyVDSAMISSHTWISQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.07
Rot. Bonds6

About 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone

1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 58070197) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID58070197
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone
SMILESCCCCN1CCCCC1C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C19H29NO/c1-4-5-12-20-13-7-6-11-18(20)19(21)14-17-15(2)9-8-10-16(17)3/h8-10,18H,4-7,11-14H2,1-3H3
InChIKeyVDSAMISSHTWISQ-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone (CID 58070197) is 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone is CCCCN1CCCCC1C(=O)Cc1c(C)cccc1C.
What is the InChIKey of 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is VDSAMISSHTWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-5-12-20-13-7-6-11-18(20)19(21)14-17-15(2)9-8-10-16(17)3/h8-10,18H,4-7,11-14H2,1-3H3.
What are the key properties of 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone?
1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 287.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-2-yl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 58070197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).