1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol

C24H50N2O — CID 70353776

IUPAC1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol
SMILESCCCCCC1C(CCCCC)C(O)(CCCCC)CCN1CCCCN
InChIInChI=1S/C24H50N2O/c1-4-7-10-15-22-23(16-11-8-5-2)26(20-14-13-19-25)21-18-24(22,27)17-12-9-6-3/h22-23,27H,4-21,25H2,1-3H3
InChIKeyHAIGKWIJSFEMEZ-UHFFFAOYSA-N
MW382.68 g/mol
LogP5.89
Rot. Bonds16

About 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol

1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol (PubChem CID 70353776) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol
PubChem CID70353776
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol
SMILESCCCCCC1C(CCCCC)C(O)(CCCCC)CCN1CCCCN
InChIInChI=1S/C24H50N2O/c1-4-7-10-15-22-23(16-11-8-5-2)26(20-14-13-19-25)21-18-24(22,27)17-12-9-6-3/h22-23,27H,4-21,25H2,1-3H3
InChIKeyHAIGKWIJSFEMEZ-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol?
The IUPAC name of 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol (CID 70353776) is 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol.
What is the SMILES notation for 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol?
The canonical SMILES for 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol is CCCCCC1C(CCCCC)C(O)(CCCCC)CCN1CCCCN.
What is the InChIKey of 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol?
The InChIKey is HAIGKWIJSFEMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-4-7-10-15-22-23(16-11-8-5-2)26(20-14-13-19-25)21-18-24(22,27)17-12-9-6-3/h22-23,27H,4-21,25H2,1-3H3.
What are the key properties of 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol?
1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol has a molecular weight of 382.68 g/mol, XLogP of 5.89, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-2,3,4-tripentylpiperidin-4-ol is sourced from PubChem (CID 70353776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).