1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol

C24H50N2O — CID 70353626

IUPAC1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol
SMILESCCCCCC(N)(CCCCC)CCCN1CCC(O)(CCCCC)CC1
InChIInChI=1S/C24H50N2O/c1-4-7-10-14-23(25,15-11-8-5-2)16-13-20-26-21-18-24(27,19-22-26)17-12-9-6-3/h27H,4-22,25H2,1-3H3
InChIKeyUAUHMPNKUJOJSI-UHFFFAOYSA-N
MW382.68 g/mol
LogP6.03
Rot. Bonds16

About 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol

1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol (PubChem CID 70353626) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol
PubChem CID70353626
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol
SMILESCCCCCC(N)(CCCCC)CCCN1CCC(O)(CCCCC)CC1
InChIInChI=1S/C24H50N2O/c1-4-7-10-14-23(25,15-11-8-5-2)16-13-20-26-21-18-24(27,19-22-26)17-12-9-6-3/h27H,4-22,25H2,1-3H3
InChIKeyUAUHMPNKUJOJSI-UHFFFAOYSA-N
XLogP6.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol 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-decyl-1-ethylpiperidin-4-ol
CID 65146691
1-heptadecylcyclopropan-1-ol
CID 2802251
4-(methylaminomethyl)-1-pentylpiperidin-4-ol
CID 95441823
4-butyl-1-methylpiperidin-4-ol;ethane
CID 171492369
4-(4-methylpentyl)-1-propylpiperidin-4-ol
CID 83158060
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
11-decylhenicosan-11-amine
CID 19847882
3-(4-hydroxy-1-propylpiperidin-4-yl)propanoic acid
CID 66323410
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol (CID 70353626) is 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol is CCCCCC(N)(CCCCC)CCCN1CCC(O)(CCCCC)CC1.
What is the InChIKey of 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol?
The InChIKey is UAUHMPNKUJOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-7-10-14-23(25,15-11-8-5-2)16-13-20-26-21-18-24(27,19-22-26)17-12-9-6-3/h27H,4-22,25H2,1-3H3.
What are the key properties of 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol?
1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol has a molecular weight of 382.68 g/mol, XLogP of 6.03, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-pentylnonyl)-4-pentylpiperidin-4-ol is sourced from PubChem (CID 70353626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).