2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol

C22H33F3N2O2 — CID 142686132

IUPAC2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILESCC(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1N1CCC[C@H](N(C)C)C1
InChIInChI=1S/C22H33F3N2O2/c1-16(17-8-6-10-19(14-17)29-22(23,24)25)21(28)12-5-4-11-20(21)27-13-7-9-18(15-27)26(2)3/h6,8,10,14,16,18,20,28H,4-5,7,9,11-13,15H2,1-3H3/t16?,18-,20?,21?/m0/s1
InChIKeyXJSKXAWOEKSEPM-ODHRUIENSA-N
MW414.51 g/mol
LogP4.39
Rot. Bonds5

About 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol

2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol (PubChem CID 142686132) has the molecular formula C22H33F3N2O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
PubChem CID142686132
Molecular FormulaC22H33F3N2O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
SMILESCC(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1N1CCC[C@H](N(C)C)C1
InChIInChI=1S/C22H33F3N2O2/c1-16(17-8-6-10-19(14-17)29-22(23,24)25)21(28)12-5-4-11-20(21)27-13-7-9-18(15-27)26(2)3/h6,8,10,14,16,18,20,28H,4-5,7,9,11-13,15H2,1-3H3/t16?,18-,20?,21?/m0/s1
InChIKeyXJSKXAWOEKSEPM-ODHRUIENSA-N
XLogP4.39
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(3S)-3-(methylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86600412
2-[(3R)-3-aminopyrrolidin-1-yl]-1-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 142686174
2-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86599940
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268
(2,2-dimethylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188677
(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol
CID 143037697
1-[2-(4-propan-2-ylcyclohexyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036674
4-[(2S)-2-(1-hydroxycyclohexyl)-2-[3-(trifluoromethoxy)phenyl]acetyl]piperazine-1-carboxylic acid
CID 174506052
2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
1-[[3-(trifluoromethoxy)phenyl]-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]cyclopropyl]methyl]cyclohexan-1-ol
CID 162603450
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 129386366

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol (CID 142686132) is 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol is CC(c1cccc(OC(F)(F)F)c1)C1(O)CCCCC1N1CCC[C@H](N(C)C)C1.
What is the InChIKey of 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol?
The InChIKey is XJSKXAWOEKSEPM-ODHRUIENSA-N. The full InChI is InChI=1S/C22H33F3N2O2/c1-16(17-8-6-10-19(14-17)29-22(23,24)25)21(28)12-5-4-11-20(21)27-13-7-9-18(15-27)26(2)3/h6,8,10,14,16,18,20,28H,4-5,7,9,11-13,15H2,1-3H3/t16?,18-,20?,21?/m0/s1.
What are the key properties of 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol?
2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol has a molecular weight of 414.51 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 142686132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).