2-(piperidin-4-ylamino)-2-propylpentanoic acid

C13H26N2O2 — CID 114991762

IUPAC2-(piperidin-4-ylamino)-2-propylpentanoic acid
SMILESCCCC(CCC)(NC1CCNCC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-3-7-13(8-4-2,12(16)17)15-11-5-9-14-10-6-11/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeySPSDJRFLLUPVIL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.75
Rot. Bonds7

About 2-(piperidin-4-ylamino)-2-propylpentanoic acid

2-(piperidin-4-ylamino)-2-propylpentanoic acid (PubChem CID 114991762) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-2-propylpentanoic acid
PubChem CID114991762
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(piperidin-4-ylamino)-2-propylpentanoic acid
SMILESCCCC(CCC)(NC1CCNCC1)C(=O)O
InChIInChI=1S/C13H26N2O2/c1-3-7-13(8-4-2,12(16)17)15-11-5-9-14-10-6-11/h11,14-15H,3-10H2,1-2H3,(H,16,17)
InChIKeySPSDJRFLLUPVIL-UHFFFAOYSA-N
XLogP1.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
2-(cyclopentylamino)-2-propylpentanamide
CID 61002588
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
CID 174692423
CID 174692423
N-(2-methylnonan-2-yl)piperidin-4-amine
CID 167126912
N-(6-methyltridecan-6-yl)piperidin-4-amine
CID 175625026
N-tert-butylpiperidin-4-amine;formic acid
CID 175154114
2-(cyclopropylamino)-2-ethyl-5-(2-hydroxyethylsulfanyl)pentanoic acid
CID 106807263
2-(cyclopropylamino)-2-ethyl-5-[propan-2-yl(propyl)amino]pentanoic acid
CID 106805763
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
1-methyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864512
5-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-ethylpentanoic acid
CID 106807115

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-2-propylpentanoic acid?
The IUPAC name of 2-(piperidin-4-ylamino)-2-propylpentanoic acid (CID 114991762) is 2-(piperidin-4-ylamino)-2-propylpentanoic acid.
What is the SMILES notation for 2-(piperidin-4-ylamino)-2-propylpentanoic acid?
The canonical SMILES for 2-(piperidin-4-ylamino)-2-propylpentanoic acid is CCCC(CCC)(NC1CCNCC1)C(=O)O.
What is the InChIKey of 2-(piperidin-4-ylamino)-2-propylpentanoic acid?
The InChIKey is SPSDJRFLLUPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-13(8-4-2,12(16)17)15-11-5-9-14-10-6-11/h11,14-15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(piperidin-4-ylamino)-2-propylpentanoic acid?
2-(piperidin-4-ylamino)-2-propylpentanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-2-propylpentanoic acid is sourced from PubChem (CID 114991762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).