1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone

C14H26N2O2 — CID 51081907

IUPAC1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3
InChIKeyQDJSDXVHHXYDOS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 51081907) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID51081907
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3
InChIKeyQDJSDXVHHXYDOS-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone (CID 51081907) is 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is QDJSDXVHHXYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h13H,2-12H2,1H3.
What are the key properties of 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 254.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylmethyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 51081907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).