1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one

C14H26N2O — CID 12754256

IUPAC1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13/h13H,2-12H2,1H3
InChIKeyCRNOFSABKVOZGP-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds4

About 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one

1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 12754256) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID12754256
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(CCC(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13/h13H,2-12H2,1H3
InChIKeyCRNOFSABKVOZGP-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one (CID 12754256) is 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(CCC(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is CRNOFSABKVOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-9-11-16(12-10-15)8-7-14(17)13-5-3-2-4-6-13/h13H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one?
1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 12754256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).