1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one

C20H30N2O — CID 2970858

IUPAC1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c23-20(13-7-10-18-8-3-1-4-9-18)22-16-14-21(15-17-22)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2
InChIKeyDYCKZIOBENGQCS-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one

1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one (PubChem CID 2970858) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one
PubChem CID2970858
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C20H30N2O/c23-20(13-7-10-18-8-3-1-4-9-18)22-16-14-21(15-17-22)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2
InChIKeyDYCKZIOBENGQCS-UHFFFAOYSA-N
XLogP3.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one (CID 2970858) is 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one?
The InChIKey is DYCKZIOBENGQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(13-7-10-18-8-3-1-4-9-18)22-16-14-21(15-17-22)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one?
1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 2970858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).