(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

C35H41F6NO — CID 58003532

IUPAC(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCC[C@@H](CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(C(CCC(C)C)c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C35H41F6NO/c1-4-24(22-43)28-18-29(25-8-12-31(13-9-25)34(36,37)38)20-30(19-28)27-6-5-17-42(21-27)33(16-7-23(2)3)26-10-14-32(15-11-26)35(39,40)41/h8-15,18-20,23-24,27,33,43H,4-7,16-17,21-22H2,1-3H3/t24-,27?,33?/m0/s1
InChIKeyGPZYBFDWKPYZLN-KPZZTNMASA-N
MW605.71 g/mol
LogP10.23
Rot. Bonds10

About (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol

(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (PubChem CID 58003532) has the molecular formula C35H41F6NO and a molecular weight of 605.71 g/mol. Its IUPAC name is (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
PubChem CID58003532
Molecular FormulaC35H41F6NO
Molecular Weight605.71 g/mol
Exact Mass605.31
IUPAC Name(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
SMILESCC[C@@H](CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(C(CCC(C)C)c3ccc(C(F)(F)F)cc3)C2)c1
InChIInChI=1S/C35H41F6NO/c1-4-24(22-43)28-18-29(25-8-12-31(13-9-25)34(36,37)38)20-30(19-28)27-6-5-17-42(21-27)33(16-7-23(2)3)26-10-14-32(15-11-26)35(39,40)41/h8-15,18-20,23-24,27,33,43H,4-7,16-17,21-22H2,1-3H3/t24-,27?,33?/m0/s1
InChIKeyGPZYBFDWKPYZLN-KPZZTNMASA-N
XLogP10.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.71
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-{4'-trifluoromethyl-5-[6-trifluoromethyl-1-(4-trifluoromethyl-benzyl)-piperidin-2-yl]-biphenyl-3-yl}-pentanoic acid
CID 25268344
2-[4-[(4-Fluorophenyl)-piperidin-1-ylmethyl]-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid
CID 68416025
(R)-2-((R)-1-benzylpiperidin-2-yl)-2-phenylethanol
CID 10685307
2-[4-[(4-Fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid
CID 71454632
2-[4-[(4-Fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]-3-methylbutanoic acid
CID 71460060
2-[4-[(4-Methylpiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 71461773
[3-[1-[2-(Cyclohexylmethyl)piperidin-1-yl]propan-2-yl]phenyl]-(4-methylphenyl)methanol
CID 13409097
4-Piperidinol, 1-methyl-2,3,6-triphenyl-
CID 3079039
(N-Benzyl-4-(3,5-bis(trifluoromethyl)phenyl)-1,2,3,6-tetrahydropyridin-3-yl)methanol
CID 134821061
1-[[(1R)-1-naphthalen-1-ylethyl]-[3-[3-(trifluoromethyl)phenyl]propyl]amino]-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 138968144
1-Benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
CID 51353703
(1R,2S)-2-[bis[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-yl]phenyl]methyl]amino]-1-phenylpropan-1-ol
CID 101113278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The IUPAC name of (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol (CID 58003532) is (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol.
What is the SMILES notation for (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The canonical SMILES for (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is CC[C@@H](CO)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCN(C(CCC(C)C)c3ccc(C(F)(F)F)cc3)C2)c1.
What is the InChIKey of (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
The InChIKey is GPZYBFDWKPYZLN-KPZZTNMASA-N. The full InChI is InChI=1S/C35H41F6NO/c1-4-24(22-43)28-18-29(25-8-12-31(13-9-25)34(36,37)38)20-30(19-28)27-6-5-17-42(21-27)33(16-7-23(2)3)26-10-14-32(15-11-26)35(39,40)41/h8-15,18-20,23-24,27,33,43H,4-7,16-17,21-22H2,1-3H3/t24-,27?,33?/m0/s1.
What are the key properties of (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol?
(2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol has a molecular weight of 605.71 g/mol, XLogP of 10.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[1-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperidin-3-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol is sourced from PubChem (CID 58003532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).