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

C16H32N2O — CID 142633114

IUPAC2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol
SMILES[H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C
InChIInChI=1S/C16H32N2O/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/b17-16+
InChIKeyWONPAWWZNOOVDK-WUKNDPDISA-N
MW268.44 g/mol
LogP3.81
Rot. Bonds8

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

2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol (PubChem CID 142633114) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol
PubChem CID142633114
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol
SMILES[H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C
InChIInChI=1S/C16H32N2O/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/b17-16+
InChIKeyWONPAWWZNOOVDK-WUKNDPDISA-N
XLogP3.81
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.81
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

4-(2-hydroxyethyl)-2-methylpiperidine-1-carboxylic acid
CID 151002782
2-(1-hexylpyrrolidin-3-yl)ethanol
CID 115648154
2-(4-nonylpiperidin-1-yl)ethanol;hydrochloride
CID 71395103
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
4-(4-nonylpiperidin-1-yl)butan-1-ol
CID 71395100
4-(4-octylpiperidin-1-yl)butan-1-ol
CID 71395098
4-(4-octylpiperidin-1-yl)butan-1-ol;hydrochloride
CID 71395097
5-(4-hexylpiperidin-1-yl)pentan-1-ol;hydrochloride
CID 23328916
2-(4-butylcyclohexyl)ethanol
CID 15085164
3-iminododecan-1-ol
CID 57239624
1-cyclopentylhexan-1-imine
CID 91136727
1,3-diheptylcyclohexane
CID 19973333

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol?
The IUPAC name of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol (CID 142633114) is 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol is [H]/N=C(\CCCCCCC)N1CCC(CCO)CC1C.
What is the InChIKey of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol?
The InChIKey is WONPAWWZNOOVDK-WUKNDPDISA-N. The full InChI is InChI=1S/C16H32N2O/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/b17-16+.
What are the key properties of 2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol?
2-(2-methyl-1-octanimidoylpiperidin-4-yl)ethanol has a molecular weight of 268.44 g/mol, XLogP of 3.81, 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 is sourced from PubChem (CID 142633114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).