2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride

C16H33ClN2O — CID 67741160

IUPAC2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride
SMILESCl.[H]/N=C(\CCCCCCC)N1CCC(C(C)CO)CC1
InChIInChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-18)14(2)13-19;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;
InChIKeyIPWFNABVDGDWIN-CMBBICFISA-N
MW304.91 g/mol
LogP4.09
Rot. Bonds8

About 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride

2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride (PubChem CID 67741160) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride
PubChem CID67741160
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride
SMILESCl.[H]/N=C(\CCCCCCC)N1CCC(C(C)CO)CC1
InChIInChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-18)14(2)13-19;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;
InChIKeyIPWFNABVDGDWIN-CMBBICFISA-N
XLogP4.09
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.91
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;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 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride (CID 67741160) is 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride is Cl.[H]/N=C(\CCCCCCC)N1CCC(C(C)CO)CC1.
What is the InChIKey of 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride?
The InChIKey is IPWFNABVDGDWIN-CMBBICFISA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-18)14(2)13-19;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;.
What are the key properties of 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride?
2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 67741160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).