(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol

C20H32N2O — CID 92573539

IUPAC(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESC[C@@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H32N2O/c1-17(22-15-13-21(2)14-16-22)20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,20-/m1/s1
InChIKeyWEMKXTZKYQLYKL-YLJYHZDGSA-N
MW316.49 g/mol
LogP3.09
Rot. Bonds4

About (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol

(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol (PubChem CID 92573539) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
PubChem CID92573539
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol
SMILESC[C@@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H32N2O/c1-17(22-15-13-21(2)14-16-22)20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,20-/m1/s1
InChIKeyWEMKXTZKYQLYKL-YLJYHZDGSA-N
XLogP3.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-1,2-diphenyl-2-piperidin-1-ylethanol;hydrochloride
CID 11972073
(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
CID 24781288
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
tert-butylbenzene;bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine;methane
CID 159135936
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
1-cyclohexyl-3-morpholin-4-yl-1,2-diphenylpropan-1-ol
CID 23604846
1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
CID 5309456
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol (CID 92573539) is (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol is C[C@@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol?
The InChIKey is WEMKXTZKYQLYKL-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(22-15-13-21(2)14-16-22)20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,17,19,23H,4,7-8,11-16H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol?
(1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol has a molecular weight of 316.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyl-2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 92573539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).