3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C14H26N2O2 — CID 22674972

IUPAC3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(11-14(17)18)15-9-5-13(6-10-15)16-7-3-2-4-8-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyHCDVBDZKEHTRPF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds4

About 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 22674972) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID22674972
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(CC(=O)O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(11-14(17)18)15-9-5-13(6-10-15)16-7-3-2-4-8-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyHCDVBDZKEHTRPF-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanoic acid
CID 63150586
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
3-[4-(hydroxymethyl)piperidin-1-yl]butanoic acid
CID 43537431
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
4-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine
CID 62428370
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
N-cyclopropyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide
CID 3229556

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 22674972) is 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is CC(CC(=O)O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is HCDVBDZKEHTRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(11-14(17)18)15-9-5-13(6-10-15)16-7-3-2-4-8-16/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 22674972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).