1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone

C15H28N2O3 — CID 3151631

IUPAC1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-13(18)17-9-7-16(8-10-17)11-14(19)12-20-15-5-3-2-4-6-15/h14-15,19H,2-12H2,1H3
InChIKeyLIOFUQLYXVNJFT-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.86
Rot. Bonds5

About 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone

1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 3151631) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID3151631
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(O)COC2CCCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-13(18)17-9-7-16(8-10-17)11-14(19)12-20-15-5-3-2-4-6-15/h14-15,19H,2-12H2,1H3
InChIKeyLIOFUQLYXVNJFT-UHFFFAOYSA-N
XLogP0.86
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone (CID 3151631) is 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(O)COC2CCCCC2)CC1.
What is the InChIKey of 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is LIOFUQLYXVNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-13(18)17-9-7-16(8-10-17)11-14(19)12-20-15-5-3-2-4-6-15/h14-15,19H,2-12H2,1H3.
What are the key properties of 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone?
1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 3151631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).