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

C14H28N2O — CID 142633113

IUPAC2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
SMILES[H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C
InChIInChI=1S/C14H28N2O/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/b15-14+
InChIKeyVCIRTHJRLAMQFL-CCEZHUSRSA-N
MW240.39 g/mol
LogP2.88
Rot. Bonds5

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

2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol (PubChem CID 142633113) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
PubChem CID142633113
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol
SMILES[H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C
InChIInChI=1S/C14H28N2O/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/b15-14+
InChIKeyVCIRTHJRLAMQFL-CCEZHUSRSA-N
XLogP2.88
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.88
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
2-(1-Ethanimidoylpiperidin-3-yl)propane-1,3-diol
CID 89316584
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
2-[2-Methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol;hydrochloride
CID 142633112
2-(2-Methyl-1-octanimidoylpiperidin-4-yl)ethanol
CID 142633114

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol (CID 142633113) is 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol is [H]/N=C(\CCC(C)C)N1CCC(CCO)CC1C.
What is the InChIKey of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol?
The InChIKey is VCIRTHJRLAMQFL-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H28N2O/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/b15-14+.
What are the key properties of 2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol?
2-[2-methyl-1-(4-methylpentanimidoyl)piperidin-4-yl]ethanol has a molecular weight of 240.39 g/mol, XLogP of 2.88, 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 is sourced from PubChem (CID 142633113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).