1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid

C15H29NO2 — CID 83158038

IUPAC1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CCCC(C)C)C1
InChIInChI=1S/C15H29NO2/c1-4-8-15(14(17)18)9-6-11-16(12-15)10-5-7-13(2)3/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyNWILYGVISKAVGG-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.39
Rot. Bonds7

About 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid

1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 83158038) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID83158038
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(CCCC(C)C)C1
InChIInChI=1S/C15H29NO2/c1-4-8-15(14(17)18)9-6-11-16(12-15)10-5-7-13(2)3/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyNWILYGVISKAVGG-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(4-cyano-4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 65254707
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63141204
1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63889960
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-octan-2-yl-3-propylpiperidine-3-carboxylic acid
CID 65069079
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid (CID 83158038) is 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(CCCC(C)C)C1.
What is the InChIKey of 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is NWILYGVISKAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-8-15(14(17)18)9-6-11-16(12-15)10-5-7-13(2)3/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid?
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83158038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).