4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one

C15H28N2O — CID 68693149

IUPAC4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one
SMILESCCCCC1(N2CCN(C)CC2)CCC(=O)CC1
InChIInChI=1S/C15H28N2O/c1-3-4-7-15(8-5-14(18)6-9-15)17-12-10-16(2)11-13-17/h3-13H2,1-2H3
InChIKeyAEXPZTSOCYWBDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.31
Rot. Bonds4

About 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one

4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one (PubChem CID 68693149) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one
PubChem CID68693149
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one
SMILESCCCCC1(N2CCN(C)CC2)CCC(=O)CC1
InChIInChI=1S/C15H28N2O/c1-3-4-7-15(8-5-14(18)6-9-15)17-12-10-16(2)11-13-17/h3-13H2,1-2H3
InChIKeyAEXPZTSOCYWBDY-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one (CID 68693149) is 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one is CCCCC1(N2CCN(C)CC2)CCC(=O)CC1.
What is the InChIKey of 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one?
The InChIKey is AEXPZTSOCYWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-4-7-15(8-5-14(18)6-9-15)17-12-10-16(2)11-13-17/h3-13H2,1-2H3.
What are the key properties of 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one?
4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-(4-methylpiperazin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 68693149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).