[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone

C17H24N2O2 — CID 15925885

IUPAC[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H24N2O2/c20-16-9-5-4-8-15(16)18-10-12-19(13-11-18)17(21)14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2
InChIKeyISHDJDGJOHHRHW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.75
Rot. Bonds2

About [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone

[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone (PubChem CID 15925885) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone
PubChem CID15925885
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H24N2O2/c20-16-9-5-4-8-15(16)18-10-12-19(13-11-18)17(21)14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2
InChIKeyISHDJDGJOHHRHW-UHFFFAOYSA-N
XLogP1.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone (CID 15925885) is [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CCCCC2O)CC1.
What is the InChIKey of [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is ISHDJDGJOHHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-9-5-4-8-15(16)18-10-12-19(13-11-18)17(21)14-6-2-1-3-7-14/h1-3,6-7,15-16,20H,4-5,8-13H2.
What are the key properties of [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone?
[4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 288.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxycyclohexyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 15925885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).