1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride

C20H41ClN2O — CID 45265830

IUPAC1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C20H40N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)22-17-15-19(21)16-18-22;/h19H,2-18,21H2,1H3;1H
InChIKeyONHNBIJUXITAAZ-UHFFFAOYSA-N
MW361.01 g/mol
LogP5.45
Rot. Bonds13

About 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride (PubChem CID 45265830) has the molecular formula C20H41ClN2O and a molecular weight of 361.01 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride
PubChem CID45265830
Molecular FormulaC20H41ClN2O
Molecular Weight361.01 g/mol
Exact Mass360.29
IUPAC Name1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride
SMILESCCCCCCCCCCCCCCC(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C20H40N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)22-17-15-19(21)16-18-22;/h19H,2-18,21H2,1H3;1H
InChIKeyONHNBIJUXITAAZ-UHFFFAOYSA-N
XLogP5.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.01
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride (CID 45265830) is 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride is CCCCCCCCCCCCCCC(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride?
The InChIKey is ONHNBIJUXITAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)22-17-15-19(21)16-18-22;/h19H,2-18,21H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride has a molecular weight of 361.01 g/mol, XLogP of 5.45, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)pentadecan-1-one;hydrochloride is sourced from PubChem (CID 45265830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).