2-piperidin-1-ylheptanoic acid

C12H23NO2 — CID 43803843

IUPAC2-piperidin-1-ylheptanoic acid
SMILESCCCCCC(C(=O)O)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-5-8-11(12(14)15)13-9-6-4-7-10-13/h11H,2-10H2,1H3,(H,14,15)
InChIKeyCTAAXXOWDKDBGH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.51
Rot. Bonds6

About 2-piperidin-1-ylheptanoic acid

2-piperidin-1-ylheptanoic acid (PubChem CID 43803843) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-piperidin-1-ylheptanoic acid.

Molecular Properties

Compound Name2-piperidin-1-ylheptanoic acid
PubChem CID43803843
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-piperidin-1-ylheptanoic acid
SMILESCCCCCC(C(=O)O)N1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-3-5-8-11(12(14)15)13-9-6-4-7-10-13/h11H,2-10H2,1H3,(H,14,15)
InChIKeyCTAAXXOWDKDBGH-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)pentanoic acid
CID 43866463
2-morpholin-4-yldecanoic acid
CID 57259608
5-methylsulfanyl-2-piperidin-1-ylpentanoic acid
CID 103090125
2-(azocan-1-yl)butanoic acid
CID 43808973
(16Z,19Z)-7-hydroxy-7-[(9Z,12Z)-octadeca-9,12-dienyl]-2-pyrrolidin-1-ylpentacosa-16,19-dienoic acid
CID 174995877
3-piperidin-1-ylnonanoic acid
CID 64527594
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
3-pyrrolidin-1-yldecanoic acid
CID 64526772
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338
ethyl 2-(aziridin-1-yl)octadecanoate
CID 21446509
2-(2-oxopyrrolidin-1-yl)dodecanoic acid
CID 57060081

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylheptanoic acid?
The IUPAC name of 2-piperidin-1-ylheptanoic acid (CID 43803843) is 2-piperidin-1-ylheptanoic acid.
What is the SMILES notation for 2-piperidin-1-ylheptanoic acid?
The canonical SMILES for 2-piperidin-1-ylheptanoic acid is CCCCCC(C(=O)O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylheptanoic acid?
The InChIKey is CTAAXXOWDKDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-5-8-11(12(14)15)13-9-6-4-7-10-13/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 2-piperidin-1-ylheptanoic acid?
2-piperidin-1-ylheptanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylheptanoic acid is sourced from PubChem (CID 43803843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).