2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone

C26H34N2O2 — CID 174510591

IUPAC2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
SMILESO=C(C(c1ccccc1CCc1ccccc1)C1(O)CCCCC1)N1CCNCC1
InChIInChI=1S/C26H34N2O2/c29-25(28-19-17-27-18-20-28)24(26(30)15-7-2-8-16-26)23-12-6-5-11-22(23)14-13-21-9-3-1-4-10-21/h1,3-6,9-12,24,27,30H,2,7-8,13-20H2
InChIKeyPUVNMQHLNDDECE-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.68
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone

2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone (PubChem CID 174510591) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
PubChem CID174510591
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
SMILESO=C(C(c1ccccc1CCc1ccccc1)C1(O)CCCCC1)N1CCNCC1
InChIInChI=1S/C26H34N2O2/c29-25(28-19-17-27-18-20-28)24(26(30)15-7-2-8-16-26)23-12-6-5-11-22(23)14-13-21-9-3-1-4-10-21/h1,3-6,9-12,24,27,30H,2,7-8,13-20H2
InChIKeyPUVNMQHLNDDECE-UHFFFAOYSA-N
XLogP3.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 174510592
4-[2-(2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
CID 174524081
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 91204468
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
CID 68855874
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
[(3R)-1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]pyrrolidin-3-yl]carbamic acid
CID 68865519
butyl-[1-[2-(1-hydroxycyclohexyl)-2-naphthalen-1-ylacetyl]piperidin-4-yl]carbamic acid
CID 174524452
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
4-[2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 91024951
1-[2-[4-(2-phenylethyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 86599961
4-[(2S)-2-(3-chloro-4-phenylmethoxyphenyl)-2-(1-hydroxycyclohexyl)acetyl]piperazine-1-carboxylic acid
CID 174506002

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone (CID 174510591) is 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone is O=C(C(c1ccccc1CCc1ccccc1)C1(O)CCCCC1)N1CCNCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone?
The InChIKey is PUVNMQHLNDDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-25(28-19-17-27-18-20-28)24(26(30)15-7-2-8-16-26)23-12-6-5-11-22(23)14-13-21-9-3-1-4-10-21/h1,3-6,9-12,24,27,30H,2,7-8,13-20H2.
What are the key properties of 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone?
2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone has a molecular weight of 406.57 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 174510591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).