1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one

C13H25NO — CID 150449781

IUPAC1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCCN1C(=O)CCC(C)C
InChIInChI=1S/C13H25NO/c1-4-12-7-5-6-10-14(12)13(15)9-8-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyHNNVNCIWJKPEAR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one

1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 150449781) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
PubChem CID150449781
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CCCCN1C(=O)CCC(C)C
InChIInChI=1S/C13H25NO/c1-4-12-7-5-6-10-14(12)13(15)9-8-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyHNNVNCIWJKPEAR-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
CID 113441676
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
4-amino-1-[2-(3-methylbutyl)piperidin-1-yl]pentan-1-one
CID 120564107
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one (CID 150449781) is 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one is CCC1CCCCN1C(=O)CCC(C)C.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is HNNVNCIWJKPEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12-7-5-6-10-14(12)13(15)9-8-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one?
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 150449781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).