(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol

C26H39F3N2O2 — CID 143037697

IUPAC(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol
SMILESC[C@@H]1CCC(O)([C@H](CCN2CCC(N3CCCCC3)CC2)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C26H39F3N2O2/c1-20-8-12-25(32,19-20)24(21-6-5-7-23(18-21)33-26(27,28)29)11-17-30-15-9-22(10-16-30)31-13-3-2-4-14-31/h5-7,18,20,22,24,32H,2-4,8-17,19H2,1H3/t20-,24-,25?/m1/s1
InChIKeyYZSAJCJZOSBNBN-XPTUZCQZSA-N
MW468.60 g/mol
LogP5.56
Rot. Bonds7

About (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol

(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol (PubChem CID 143037697) has the molecular formula C26H39F3N2O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol
PubChem CID143037697
Molecular FormulaC26H39F3N2O2
Molecular Weight468.60 g/mol
Exact Mass468.30
IUPAC Name(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol
SMILESC[C@@H]1CCC(O)([C@H](CCN2CCC(N3CCCCC3)CC2)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C26H39F3N2O2/c1-20-8-12-25(32,19-20)24(21-6-5-7-23(18-21)33-26(27,28)29)11-17-30-15-9-22(10-16-30)31-13-3-2-4-14-31/h5-7,18,20,22,24,32H,2-4,8-17,19H2,1H3/t20-,24-,25?/m1/s1
InChIKeyYZSAJCJZOSBNBN-XPTUZCQZSA-N
XLogP5.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-[1-[3-(1,1-difluoroethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-3-methylcyclopentan-1-ol
CID 143037709
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
1-[(1S)-2-[(3R)-3-ethyl-4-methylpiperazin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853712
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
1-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 11179494
1-[2-(4-propan-2-ylcyclohexyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036674
2-[(3R)-1-hydroxy-3-methylcyclohexyl]-1-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 141128694
(2R)-2-(1-hydroxycyclohexyl)-1-(4-morpholin-4-ylpiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 129386366
1-[[3-(trifluoromethoxy)phenyl]-[2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]cyclopropyl]methyl]cyclohexan-1-ol
CID 162603450
2-[(3S)-3-(methylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 86600412
2-[(3S)-3-(dimethylamino)piperidin-1-yl]-1-[1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 142686132

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol?
The IUPAC name of (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol (CID 143037697) is (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol.
What is the SMILES notation for (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol?
The canonical SMILES for (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol is C[C@@H]1CCC(O)([C@H](CCN2CCC(N3CCCCC3)CC2)c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol?
The InChIKey is YZSAJCJZOSBNBN-XPTUZCQZSA-N. The full InChI is InChI=1S/C26H39F3N2O2/c1-20-8-12-25(32,19-20)24(21-6-5-7-23(18-21)33-26(27,28)29)11-17-30-15-9-22(10-16-30)31-13-3-2-4-14-31/h5-7,18,20,22,24,32H,2-4,8-17,19H2,1H3/t20-,24-,25?/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol?
(3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol has a molecular weight of 468.60 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(1R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]propyl]cyclopentan-1-ol is sourced from PubChem (CID 143037697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).