2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol

C25H30N2O — CID 58465527

IUPAC2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CCCC=C1
InChIInChI=1S/C25H30N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2-4,6-15,24-25,28H,1,5,16-20H2
InChIKeyNOIXXVSGSAONKP-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.03
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol

2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol (PubChem CID 58465527) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
PubChem CID58465527
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
SMILESOC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CCCC=C1
InChIInChI=1S/C25H30N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2-4,6-15,24-25,28H,1,5,16-20H2
InChIKeyNOIXXVSGSAONKP-UHFFFAOYSA-N
XLogP4.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-(4-benzhydrylpiperazin-1-yl)-1-(4-bromophenyl)ethanol
CID 28746869
1-(4-benzhydrylpiperazin-1-yl)butan-2-ol
CID 20795195
(2S)-3-(4-benzhydrylpiperazin-1-yl)-1,1,1-trifluoropropan-2-ol
CID 6975605
1-(4-benzhydrylpiperazin-1-yl)-3-(benzylamino)propan-2-ol
CID 3072697
2-(4-benzhydrylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 10319822
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 167011971
2-(4-benzhydrylpiperazin-1-yl)-1-(3-methyl-5-phenylfuran-2-yl)ethanol
CID 15288259
(2S)-1-(4-benzhydrylpiperazin-1-yl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-ol
CID 2328997
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-[bis(4-chlorophenyl)methoxy]propan-2-ol
CID 98291992

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol (CID 58465527) is 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol is OC(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=CCCC=C1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol?
The InChIKey is NOIXXVSGSAONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c28-24(21-10-4-1-5-11-21)20-26-16-18-27(19-17-26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2-4,6-15,24-25,28H,1,5,16-20H2.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol?
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol has a molecular weight of 374.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol is sourced from PubChem (CID 58465527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).