(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one

C28H38N2O2 — CID 57375967

IUPAC(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one
SMILESCOc1ccccc1N1CCN(CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O2/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2/h4,7-10,13-16,23H,3,5-6,11-12,17-22H2,1-2H3/t28-/m1/s1
InChIKeyGXVHRYDXBSTHCF-MUUNZHRXSA-N
MW434.62 g/mol
LogP5.31
Rot. Bonds8

About (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one

(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one (PubChem CID 57375967) has the molecular formula C28H38N2O2 and a molecular weight of 434.62 g/mol. Its IUPAC name is (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one
PubChem CID57375967
Molecular FormulaC28H38N2O2
Molecular Weight434.62 g/mol
Exact Mass434.29
IUPAC Name(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one
SMILESCOc1ccccc1N1CCN(CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O2/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2/h4,7-10,13-16,23H,3,5-6,11-12,17-22H2,1-2H3/t28-/m1/s1
InChIKeyGXVHRYDXBSTHCF-MUUNZHRXSA-N
XLogP5.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.62
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one (CID 57375967) is (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one is COc1ccccc1N1CCN(CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one?
The InChIKey is GXVHRYDXBSTHCF-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H38N2O2/c1-28(24-13-7-4-8-14-24,27(31)23-11-5-3-6-12-23)17-18-29-19-21-30(22-20-29)25-15-9-10-16-26(25)32-2/h4,7-10,13-16,23H,3,5-6,11-12,17-22H2,1-2H3/t28-/m1/s1.
What are the key properties of (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one?
(2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one has a molecular weight of 434.62 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-2-phenylbutan-1-one is sourced from PubChem (CID 57375967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).