(4-cyclohexylpiperazin-1-yl)-phenylmethanone

C17H24N2O — CID 796437

IUPAC(4-cyclohexylpiperazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyGZVLNSKPUMFTFP-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.78
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-phenylmethanone

(4-cyclohexylpiperazin-1-yl)-phenylmethanone (PubChem CID 796437) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-phenylmethanone
PubChem CID796437
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(4-cyclohexylpiperazin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyGZVLNSKPUMFTFP-UHFFFAOYSA-N
XLogP2.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-phenylmethanone (CID 796437) is (4-cyclohexylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-phenylmethanone?
The InChIKey is GZVLNSKPUMFTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-phenylmethanone?
(4-cyclohexylpiperazin-1-yl)-phenylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 796437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).