(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol

C22H28N2O2 — CID 3065722

IUPAC(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1[C@@H](Oc2ccccc2)CCC[C@H]1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-22-20(12-7-13-21(22)26-19-10-5-2-6-11-19)24-16-14-23(15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25H,7,12-17H2/t20-,21+,22+/m1/s1
InChIKeyGTBHRECRCAKXOA-FSSWDIPSSA-N
MW352.48 g/mol
LogP3.17
Rot. Bonds4

About (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol

(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol (PubChem CID 3065722) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
PubChem CID3065722
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol
SMILESO[C@@H]1[C@@H](Oc2ccccc2)CCC[C@H]1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-22-20(12-7-13-21(22)26-19-10-5-2-6-11-19)24-16-14-23(15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25H,7,12-17H2/t20-,21+,22+/m1/s1
InChIKeyGTBHRECRCAKXOA-FSSWDIPSSA-N
XLogP3.17
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,6R)-2-[4-(4-methylphenyl)piperazin-1-yl]-6-phenoxycyclohexan-1-ol
CID 3065726
4-[(1S,2R)-2-phenoxycyclohexyl]morpholine
CID 92857072
[2-(4-phenylpiperazin-1-yl)cyclopentyl]methanamine
CID 43293527
2-phenoxycyclooctan-1-ol
CID 22247671
(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
CID 110157304
trans-(1S,2S)-2-(4-phenoxyphenoxy)cyclopentan-1-ol
CID 102735416
cyclopropyl-[(3R,4R)-3-hydroxy-4-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 110108718
1-cycloheptyl-4-phenylpiperazine
CID 2846720
2-phenoxycyclopentane-1-thiol
CID 130451527
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
trans-(1R,2R)-2-(4-phenylphenoxy)cyclopentan-1-ol
CID 102735461
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807

Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol (CID 3065722) is (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol is O[C@@H]1[C@@H](Oc2ccccc2)CCC[C@H]1N1CCN(c2ccccc2)CC1.
What is the InChIKey of (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol?
The InChIKey is GTBHRECRCAKXOA-FSSWDIPSSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22-20(12-7-13-21(22)26-19-10-5-2-6-11-19)24-16-14-23(15-17-24)18-8-3-1-4-9-18/h1-6,8-11,20-22,25H,7,12-17H2/t20-,21+,22+/m1/s1.
What are the key properties of (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol?
(1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol has a molecular weight of 352.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R)-2-phenoxy-6-(4-phenylpiperazin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 3065722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).