2-(2-propylpiperidin-1-yl)pentan-3-one

C13H25NO — CID 83056378

IUPAC2-(2-propylpiperidin-1-yl)pentan-3-one
SMILESCCCC1CCCCN1C(C)C(=O)CC
InChIInChI=1S/C13H25NO/c1-4-8-12-9-6-7-10-14(12)11(3)13(15)5-2/h11-12H,4-10H2,1-3H3
InChIKeyPVKMEBHROPFVOX-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-propylpiperidin-1-yl)pentan-3-one

2-(2-propylpiperidin-1-yl)pentan-3-one (PubChem CID 83056378) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-propylpiperidin-1-yl)pentan-3-one.

Molecular Properties

Compound Name2-(2-propylpiperidin-1-yl)pentan-3-one
PubChem CID83056378
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(2-propylpiperidin-1-yl)pentan-3-one
SMILESCCCC1CCCCN1C(C)C(=O)CC
InChIInChI=1S/C13H25NO/c1-4-8-12-9-6-7-10-14(12)11(3)13(15)5-2/h11-12H,4-10H2,1-3H3
InChIKeyPVKMEBHROPFVOX-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propylpiperidin-1-yl)butanoic acid
CID 83055410
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055659
4-(2-propylpiperidin-1-yl)pentanehydrazide
CID 83056932
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
2-chloro-2-(2-propylpiperidin-1-yl)acetamide
CID 70633548
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
butyl 2-[2-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 111461966
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
CID 83057524
2-(2-propylpiperidin-1-yl)pentan-3-amine
CID 83053461
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylpiperidin-1-yl)pentan-3-one?
The IUPAC name of 2-(2-propylpiperidin-1-yl)pentan-3-one (CID 83056378) is 2-(2-propylpiperidin-1-yl)pentan-3-one.
What is the SMILES notation for 2-(2-propylpiperidin-1-yl)pentan-3-one?
The canonical SMILES for 2-(2-propylpiperidin-1-yl)pentan-3-one is CCCC1CCCCN1C(C)C(=O)CC.
What is the InChIKey of 2-(2-propylpiperidin-1-yl)pentan-3-one?
The InChIKey is PVKMEBHROPFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-12-9-6-7-10-14(12)11(3)13(15)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-(2-propylpiperidin-1-yl)pentan-3-one?
2-(2-propylpiperidin-1-yl)pentan-3-one has a molecular weight of 211.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylpiperidin-1-yl)pentan-3-one is sourced from PubChem (CID 83056378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).