4-piperidin-1-ylbutanoic acid

C9H17NO2 — CID 20794

IUPAC4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)
InChIKeyBGAVZPPPWLEAKZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.34
Rot. Bonds4

About 4-piperidin-1-ylbutanoic acid

4-piperidin-1-ylbutanoic acid (PubChem CID 20794) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name4-piperidin-1-ylbutanoic acid
PubChem CID20794
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-piperidin-1-ylbutanoic acid
SMILESO=C(O)CCCN1CCCCC1
InChIInChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12)
InChIKeyBGAVZPPPWLEAKZ-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyric acid, 4-(diethylamino)-
CID 44844
4-(Piperidin-1-yl)butanoic acid hydrochloride
CID 13172081
4-Piperidinebutyric acid, methyl ester
CID 3047641
1-Methylpiperidine-4-carboxylic acid
CID 2736939
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
4-(2-Oxopiperidin-1-Yl)Butanoic Acid
CID 12842029
1-(Cyclopropylmethyl)piperidine-4-carboxylic acid hydrochloride
CID 17221488
1-Propylpiperidine-4-carboxylic acid hydrochloride
CID 43810467
1-Ethylpiperidine-4-carboxylic acid hydrochloride
CID 45075030
1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutanoic acid?
The IUPAC name of 4-piperidin-1-ylbutanoic acid (CID 20794) is 4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for 4-piperidin-1-ylbutanoic acid?
The canonical SMILES for 4-piperidin-1-ylbutanoic acid is O=C(O)CCCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-ylbutanoic acid?
The InChIKey is BGAVZPPPWLEAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-8H2,(H,11,12).
What are the key properties of 4-piperidin-1-ylbutanoic acid?
4-piperidin-1-ylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 20794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).