4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid

C14H26N2O2 — CID 119135261

IUPAC4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCC1CN1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(18)7-5-11-16-10-4-6-13(16)12-15-8-2-1-3-9-15/h13H,1-12H2,(H,17,18)
InChIKeyMPSILSUBKQGQKN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds6

About 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid

4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid (PubChem CID 119135261) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
PubChem CID119135261
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCC1CN1CCCCC1
InChIInChI=1S/C14H26N2O2/c17-14(18)7-5-11-16-10-4-6-13(16)12-15-8-2-1-3-9-15/h13H,1-12H2,(H,17,18)
InChIKeyMPSILSUBKQGQKN-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic 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-[(2S)-2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propanoic acid
CID 51619189
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
7-[2-(hydroxymethyl)pyrrolidin-1-yl]heptanoic acid
CID 174218566
4-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]butanoic acid
CID 129379773
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
4-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564416
4-[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]butanoic acid
CID 124564415
4-[4-[[2-[2-[(4-methyl-(5,6-13C2,415N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino](1,2,3,4-13C4)butanoic acid
CID 129148488
4-[4-[[2-[2-[(4-methyl-(2,3,5,6-13C4,415N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid
CID 129148366
4-[4-[[2-[2-[(4-methyl-(512C,414N)1,4-diazinan-1-yl)methyl]pyrrolidin-1-yl]acetyl]amino]butanoylamino]butanoic acid
CID 129148249

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid (CID 119135261) is 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid is O=C(O)CCCN1CCCC1CN1CCCCC1.
What is the InChIKey of 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid?
The InChIKey is MPSILSUBKQGQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c17-14(18)7-5-11-16-10-4-6-13(16)12-15-8-2-1-3-9-15/h13H,1-12H2,(H,17,18).
What are the key properties of 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid?
4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 119135261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).