4-(piperidin-4-ylamino)butanoic acid

C9H18N2O2 — CID 61020779

IUPAC4-(piperidin-4-ylamino)butanoic acid
SMILESO=C(O)CCCNC1CCNCC1
InChIInChI=1S/C9H18N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h8,10-11H,1-7H2,(H,12,13)
InChIKeyDMWQFBQKEONDJV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.19
Rot. Bonds5

About 4-(piperidin-4-ylamino)butanoic acid

4-(piperidin-4-ylamino)butanoic acid (PubChem CID 61020779) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-(piperidin-4-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(piperidin-4-ylamino)butanoic acid
PubChem CID61020779
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-(piperidin-4-ylamino)butanoic acid
SMILESO=C(O)CCCNC1CCNCC1
InChIInChI=1S/C9H18N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h8,10-11H,1-7H2,(H,12,13)
InChIKeyDMWQFBQKEONDJV-UHFFFAOYSA-N
XLogP0.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(piperidin-4-ylamino)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

4-(cycloheptylamino)butanoic acid
CID 43377987
4-[3-(cyclohexylamino)propylamino]butanoic acid
CID 135231952
N,N-dimethyl-5-(piperidin-4-ylamino)pentanamide
CID 173326763
4-(spiro[4.5]decan-8-ylamino)butanoic acid
CID 114817440
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
4-[(1,1-dioxothietan-3-yl)amino]butanoic acid
CID 84675160
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443
2-(piperidin-4-ylamino)ethylurea
CID 83109296
4-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
bis(hexanedioic acid);piperazine
CID 159642331

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylamino)butanoic acid?
The IUPAC name of 4-(piperidin-4-ylamino)butanoic acid (CID 61020779) is 4-(piperidin-4-ylamino)butanoic acid.
What is the SMILES notation for 4-(piperidin-4-ylamino)butanoic acid?
The canonical SMILES for 4-(piperidin-4-ylamino)butanoic acid is O=C(O)CCCNC1CCNCC1.
What is the InChIKey of 4-(piperidin-4-ylamino)butanoic acid?
The InChIKey is DMWQFBQKEONDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h8,10-11H,1-7H2,(H,12,13).
What are the key properties of 4-(piperidin-4-ylamino)butanoic acid?
4-(piperidin-4-ylamino)butanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylamino)butanoic acid is sourced from PubChem (CID 61020779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).