1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol

C30H42N2O2 — CID 141116368

IUPAC1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol
SMILESOC1(c2cccc(-c3ccccc3)c2C(CN2CCNCC2)C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C30H42N2O2/c33-29(15-6-2-7-16-29)26-14-10-13-25(24-11-4-1-5-12-24)28(26)27(23-32-21-19-31-20-22-32)30(34)17-8-3-9-18-30/h1,4-5,10-14,27,31,33-34H,2-3,6-9,15-23H2
InChIKeyXCZGNVYZUPFWJA-UHFFFAOYSA-N
MW462.68 g/mol
LogP5.19
Rot. Bonds6

About 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol

1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol (PubChem CID 141116368) has the molecular formula C30H42N2O2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol
PubChem CID141116368
Molecular FormulaC30H42N2O2
Molecular Weight462.68 g/mol
Exact Mass462.32
IUPAC Name1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol
SMILESOC1(c2cccc(-c3ccccc3)c2C(CN2CCNCC2)C2(O)CCCCC2)CCCCC1
InChIInChI=1S/C30H42N2O2/c33-29(15-6-2-7-16-29)26-14-10-13-25(24-11-4-1-5-12-24)28(26)27(23-32-21-19-31-20-22-32)30(34)17-8-3-9-18-30/h1,4-5,10-14,27,31,33-34H,2-3,6-9,15-23H2
InChIKeyXCZGNVYZUPFWJA-UHFFFAOYSA-N
XLogP5.19
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[1-[2-(3-chlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 68855319
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[2-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11475998
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
1-[1-(3-ethenylphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11232276
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
1-(2-phenylphenyl)cyclopentan-1-ol
CID 23151757
1-[1-(5-chlorothiophen-2-yl)-2-piperazin-1-ylethyl]cyclohexan-1-ol
CID 11324941
4-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile;dihydrochloride
CID 68853707
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol (CID 141116368) is 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol is OC1(c2cccc(-c3ccccc3)c2C(CN2CCNCC2)C2(O)CCCCC2)CCCCC1.
What is the InChIKey of 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol?
The InChIKey is XCZGNVYZUPFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O2/c33-29(15-6-2-7-16-29)26-14-10-13-25(24-11-4-1-5-12-24)28(26)27(23-32-21-19-31-20-22-32)30(34)17-8-3-9-18-30/h1,4-5,10-14,27,31,33-34H,2-3,6-9,15-23H2.
What are the key properties of 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol?
1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol has a molecular weight of 462.68 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-3-phenylphenyl]cyclohexan-1-ol is sourced from PubChem (CID 141116368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).