1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol

C32H35F6N3O — CID 54541575

IUPAC1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCN2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccccc2)CC1
InChIInChI=1S/C32H35F6N3O/c33-31(34,35)27-19-24(20-28(21-27)32(36,37)38)22-40-16-18-41(29(23-40)25-7-3-1-4-8-25)17-15-39-13-11-30(42,12-14-39)26-9-5-2-6-10-26/h1-10,19-21,29,42H,11-18,22-23H2
InChIKeyZDOPEKLFMVDXTE-UHFFFAOYSA-N
MW591.64 g/mol
LogP6.57
Rot. Bonds7

About 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol

1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol (PubChem CID 54541575) has the molecular formula C32H35F6N3O and a molecular weight of 591.64 g/mol. Its IUPAC name is 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol
PubChem CID54541575
Molecular FormulaC32H35F6N3O
Molecular Weight591.64 g/mol
Exact Mass591.27
IUPAC Name1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(CCN2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccccc2)CC1
InChIInChI=1S/C32H35F6N3O/c33-31(34,35)27-19-24(20-28(21-27)32(36,37)38)22-40-16-18-41(29(23-40)25-7-3-1-4-8-25)17-15-39-13-11-30(42,12-14-39)26-9-5-2-6-10-26/h1-10,19-21,29,42H,11-18,22-23H2
InChIKeyZDOPEKLFMVDXTE-UHFFFAOYSA-N
XLogP6.57
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.64
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol with MolForge

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Related Compounds

N-[1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]-2-oxoethyl]-4-phenylpiperidin-4-yl]acetamide
CID 101347021
2-[(2R)-2-methyl-4-[[3-phenyl-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid
CID 118519522
1-[(1-phenylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 10597114
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 162602689
1-benzyl-4-(3,5-difluorophenyl)piperidin-4-ol
CID 139966182
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
8-[3,5-bis(trifluoromethyl)benzoyl]-2-(2-morpholin-4-ylethyl)-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 87854856
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol (CID 54541575) is 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(CCN2CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccccc2)CC1.
What is the InChIKey of 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol?
The InChIKey is ZDOPEKLFMVDXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F6N3O/c33-31(34,35)27-19-24(20-28(21-27)32(36,37)38)22-40-16-18-41(29(23-40)25-7-3-1-4-8-25)17-15-39-13-11-30(42,12-14-39)26-9-5-2-6-10-26/h1-10,19-21,29,42H,11-18,22-23H2.
What are the key properties of 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol?
1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol has a molecular weight of 591.64 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylpiperazin-1-yl]ethyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 54541575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).