3-piperidin-2-ylheptanoic acid

C12H23NO2 — CID 69088643

IUPAC3-piperidin-2-ylheptanoic acid
SMILESCCCCC(CC(=O)O)C1CCCCN1
InChIInChI=1S/C12H23NO2/c1-2-3-6-10(9-12(14)15)11-7-4-5-8-13-11/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyWJPNKCSXTXQWEC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds6

About 3-piperidin-2-ylheptanoic acid

3-piperidin-2-ylheptanoic acid (PubChem CID 69088643) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-piperidin-2-ylheptanoic acid.

Molecular Properties

Compound Name3-piperidin-2-ylheptanoic acid
PubChem CID69088643
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-piperidin-2-ylheptanoic acid
SMILESCCCCC(CC(=O)O)C1CCCCN1
InChIInChI=1S/C12H23NO2/c1-2-3-6-10(9-12(14)15)11-7-4-5-8-13-11/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyWJPNKCSXTXQWEC-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-2-ylhexadecan-1-ol
CID 23497732
(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381
2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid
CID 70284229
4-piperidin-2-ylpentanoic acid
CID 174627267
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
2-piperidin-2-ylpropane-1,3-diol
CID 15749478
N-hexan-2-yl-3-piperidin-2-ylpropanamide
CID 62211669
2-(1-fluorobutyl)piperidine
CID 105431346
2-methyl-N-(1-piperidin-2-ylethyl)butanamide
CID 43523371
dimethyl 2,7-di(piperidin-2-yl)octanedioate
CID 24840701
dimethyl 2,6-di(piperidin-2-yl)heptanedioate
CID 24838598

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-ylheptanoic acid?
The IUPAC name of 3-piperidin-2-ylheptanoic acid (CID 69088643) is 3-piperidin-2-ylheptanoic acid.
What is the SMILES notation for 3-piperidin-2-ylheptanoic acid?
The canonical SMILES for 3-piperidin-2-ylheptanoic acid is CCCCC(CC(=O)O)C1CCCCN1.
What is the InChIKey of 3-piperidin-2-ylheptanoic acid?
The InChIKey is WJPNKCSXTXQWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-6-10(9-12(14)15)11-7-4-5-8-13-11/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-piperidin-2-ylheptanoic acid?
3-piperidin-2-ylheptanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylheptanoic acid is sourced from PubChem (CID 69088643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).