2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol

C14H28N2O — CID 54154578

IUPAC2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol
SMILES[H]/N=C(\CCC(C)C)N1CCC(C(C)CO)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)4-5-14(15)16-8-6-13(7-9-16)12(3)10-17/h11-13,15,17H,4-10H2,1-3H3/b15-14+
InChIKeyOKDAGNGOKTWANR-CCEZHUSRSA-N
MW240.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol

2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol (PubChem CID 54154578) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol
PubChem CID54154578
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol
SMILES[H]/N=C(\CCC(C)C)N1CCC(C(C)CO)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)4-5-14(15)16-8-6-13(7-9-16)12(3)10-17/h11-13,15,17H,4-10H2,1-3H3/b15-14+
InChIKeyOKDAGNGOKTWANR-CCEZHUSRSA-N
XLogP2.74
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 ≤ 52.74
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol (CID 54154578) is 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol is [H]/N=C(\CCC(C)C)N1CCC(C(C)CO)CC1.
What is the InChIKey of 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol?
The InChIKey is OKDAGNGOKTWANR-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)4-5-14(15)16-8-6-13(7-9-16)12(3)10-17/h11-13,15,17H,4-10H2,1-3H3/b15-14+.
What are the key properties of 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol?
2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentanimidoyl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 54154578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).