[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone

C19H29NO — CID 126764258

IUPAC[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
SMILESCCCC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H29NO/c1-4-11-19(2,3)15-16-9-8-10-17(14-16)18(21)20-12-6-5-7-13-20/h8-10,14H,4-7,11-13,15H2,1-3H3
InChIKeyGSUHCCCYVORZRT-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.68
Rot. Bonds5

About [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone

[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 126764258) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
PubChem CID126764258
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
SMILESCCCC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C19H29NO/c1-4-11-19(2,3)15-16-9-8-10-17(14-16)18(21)20-12-6-5-7-13-20/h8-10,14H,4-7,11-13,15H2,1-3H3
InChIKeyGSUHCCCYVORZRT-UHFFFAOYSA-N
XLogP4.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
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CID 60667458
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
CID 142843675
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone (CID 126764258) is [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone is CCCC(C)(C)Cc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is GSUHCCCYVORZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-11-19(2,3)15-16-9-8-10-17(14-16)18(21)20-12-6-5-7-13-20/h8-10,14H,4-7,11-13,15H2,1-3H3.
What are the key properties of [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone?
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 287.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 126764258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).