5-methyl-1-piperidin-4-ylheptan-3-one

C13H25NO — CID 116563326

IUPAC5-methyl-1-piperidin-4-ylheptan-3-one
SMILESCCC(C)CC(=O)CCC1CCNCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)10-13(15)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVSINQJKSTWZSMA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.77
Rot. Bonds6

About 5-methyl-1-piperidin-4-ylheptan-3-one

5-methyl-1-piperidin-4-ylheptan-3-one (PubChem CID 116563326) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-ylheptan-3-one.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-ylheptan-3-one
PubChem CID116563326
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-methyl-1-piperidin-4-ylheptan-3-one
SMILESCCC(C)CC(=O)CCC1CCNCC1
InChIInChI=1S/C13H25NO/c1-3-11(2)10-13(15)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVSINQJKSTWZSMA-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
1-amino-4-piperidin-4-ylbutan-2-one
CID 56994536
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
1-piperidin-4-ylhept-5-yn-3-one
CID 116563317
3-methyl-N-piperidin-4-ylpentanamide
CID 112703814
2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62210937
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
4-piperidin-4-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 116563481
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
CID 117125827
2,2-dimethylpentan-3-yl 3-piperidin-4-ylpropanoate
CID 71063287

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-ylheptan-3-one?
The IUPAC name of 5-methyl-1-piperidin-4-ylheptan-3-one (CID 116563326) is 5-methyl-1-piperidin-4-ylheptan-3-one.
What is the SMILES notation for 5-methyl-1-piperidin-4-ylheptan-3-one?
The canonical SMILES for 5-methyl-1-piperidin-4-ylheptan-3-one is CCC(C)CC(=O)CCC1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-ylheptan-3-one?
The InChIKey is VSINQJKSTWZSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-11(2)10-13(15)5-4-12-6-8-14-9-7-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 5-methyl-1-piperidin-4-ylheptan-3-one?
5-methyl-1-piperidin-4-ylheptan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-ylheptan-3-one is sourced from PubChem (CID 116563326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).