2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride

C16H33ClN2O — CID 142633115

IUPAC2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride
SMILESCl.[H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C
InChIInChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-19)13-14(18)2;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;
InChIKeyBTIDQPZEOYJDTA-CMBBICFISA-N
MW304.91 g/mol
LogP4.23
Rot. Bonds8

About 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride

2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride (PubChem CID 142633115) has the molecular formula C16H33ClN2O and a molecular weight of 304.91 g/mol. Its IUPAC name is 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride
PubChem CID142633115
Molecular FormulaC16H33ClN2O
Molecular Weight304.91 g/mol
Exact Mass304.23
IUPAC Name2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride
SMILESCl.[H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C
InChIInChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-19)13-14(18)2;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;
InChIKeyBTIDQPZEOYJDTA-CMBBICFISA-N
XLogP4.23
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 ≤ 54.23
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'}

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Related Compounds

2-(1-Octanimidoylpiperidin-4-yl)propan-1-ol
CID 53794051
2-[1-(4-Methylpentanimidoyl)piperidin-4-yl]propan-1-ol;hydrochloride
CID 67741134
2-(1-Octanimidoylpiperidin-4-yl)propan-1-ol;hydrochloride
CID 67741160
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
CID 142633112
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
CID 142633113
2-(2-Methyl-1-octanimidoylpiperidin-4-yl)ethanol
CID 142633114

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride?
The IUPAC name of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride (CID 142633115) is 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride is Cl.[H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C.
What is the InChIKey of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride?
The InChIKey is BTIDQPZEOYJDTA-CMBBICFISA-N. The full InChI is InChI=1S/C16H32N2O.ClH/c1-3-4-5-6-7-8-16(17)18-11-9-15(10-12-19)13-14(18)2;/h14-15,17,19H,3-13H2,1-2H3;1H/b17-16+;.
What are the key properties of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride?
2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride has a molecular weight of 304.91 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride is sourced from PubChem (CID 142633115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).