2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride

C14H29ClN2O — CID 142633112

IUPAC2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
SMILESCl.[H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)4-5-14(15)16-8-6-13(7-9-17)10-12(16)3;/h11-13,15,17H,4-10H2,1-3H3;1H/b15-14+;
InChIKeyYPBYWOPWDDXGIH-WPDLWGESSA-N
MW276.85 g/mol
LogP3.30
Rot. Bonds5

About 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride

2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride (PubChem CID 142633112) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
PubChem CID142633112
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
SMILESCl.[H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C
InChIInChI=1S/C14H28N2O.ClH/c1-11(2)4-5-14(15)16-8-6-13(7-9-17)10-12(16)3;/h11-13,15,17H,4-10H2,1-3H3;1H/b15-14+;
InChIKeyYPBYWOPWDDXGIH-WPDLWGESSA-N
XLogP3.30
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
CID 54154578
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
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-(1-Ethanimidoylpiperidin-4-yl)propane-1,3-diol
CID 89316583
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
CID 142633113
2-(2-Methyl-1-octanimidoylpiperidin-4-yl)ethanol
CID 142633114
2-(2-Methyl-1-octanimidoylpiperidin-4-yl)ethanol;hydrochloride
CID 142633115

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride (CID 142633112) is 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride is Cl.[H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C.
What is the InChIKey of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride?
The InChIKey is YPBYWOPWDDXGIH-WPDLWGESSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-11(2)4-5-14(15)16-8-6-13(7-9-17)10-12(16)3;/h11-13,15,17H,4-10H2,1-3H3;1H/b15-14+;.
What are the key properties of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride?
2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 142633112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).