(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

C80H92F18N8O7 — CID 158476135

IUPAC(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2C=NC(C)(C)C2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C31H39F6N3O4.C27H29F6N3O2.C22H24F6N2O/c1-19(20-14-22(30(32,33)34)16-23(15-20)31(35,36)37)43-18-29(21-10-8-7-9-11-21)13-12-24(17-38-29)39-25(41)28(5,6)40-26(42)44-27(2,3)4;1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)38-15-25(19-7-5-4-6-8-19)10-9-22(14-34-25)36-16-35-24(2,3)23(36)37;1-14(15-9-17(21(23,24)25)11-18(10-15)22(26,27)28)31-13-20(8-7-19(29)12-30-20)16-5-3-2-4-6-16/h7-11,14-16,19,24,38H,12-13,17-18H2,1-6H3,(H,39,41)(H,40,42);4-8,11-13,16-17,22,34H,9-10,14-15H2,1-3H3;2-6,9-11,14,19,30H,7-8,12-13,29H2,1H3/t19-,24+,29-;17-,22+,25-;14-,19+,20-/m111/s1
InChIKeyHGYNJHTVOUMSPM-BSKJSDJGSA-N
MW1619.63 g/mol
LogP18.38
Rot. Bonds19

About (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate

(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 158476135) has the molecular formula C80H92F18N8O7 and a molecular weight of 1619.63 g/mol. Its IUPAC name is (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID158476135
Molecular FormulaC80H92F18N8O7
Molecular Weight1619.63 g/mol
Exact Mass1618.68
IUPAC Name(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2C=NC(C)(C)C2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C31H39F6N3O4.C27H29F6N3O2.C22H24F6N2O/c1-19(20-14-22(30(32,33)34)16-23(15-20)31(35,36)37)43-18-29(21-10-8-7-9-11-21)13-12-24(17-38-29)39-25(41)28(5,6)40-26(42)44-27(2,3)4;1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)38-15-25(19-7-5-4-6-8-19)10-9-22(14-34-25)36-16-35-24(2,3)23(36)37;1-14(15-9-17(21(23,24)25)11-18(10-15)22(26,27)28)31-13-20(8-7-19(29)12-30-20)16-5-3-2-4-6-16/h7-11,14-16,19,24,38H,12-13,17-18H2,1-6H3,(H,39,41)(H,40,42);4-8,11-13,16-17,22,34H,9-10,14-15H2,1-3H3;2-6,9-11,14,19,30H,7-8,12-13,29H2,1H3/t19-,24+,29-;17-,22+,25-;14-,19+,20-/m111/s1
InChIKeyHGYNJHTVOUMSPM-BSKJSDJGSA-N
XLogP18.38
TPSA189.90 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001619.63
LogP ≤ 518.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;2-amino-N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-2-methylpropanamide;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;trimethoxymethane
CID 158442957
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 58633888
N-[6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 23574943
4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one;tert-butyl N-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]carbamoylamino]carbamate;tritium monohydride;hydrofluoride
CID 159031897
3-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]-1,1-dimethylurea
CID 88947957
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrrolidine-1-carboxamide
CID 58633736
3-amino-4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one;3-amino-4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 158681947
4-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-1H-tetrazol-5-one
CID 135446060
2-chloro-N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide
CID 58238855
2-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-methylacetamide
CID 58238928
N-[(6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidin-3-yl]pyridin-2-amine
CID 88969535
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyrimidin-2-amine
CID 52945787

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 158476135) is (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2C=NC(C)(C)C2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is HGYNJHTVOUMSPM-BSKJSDJGSA-N. The full InChI is InChI=1S/C31H39F6N3O4.C27H29F6N3O2.C22H24F6N2O/c1-19(20-14-22(30(32,33)34)16-23(15-20)31(35,36)37)43-18-29(21-10-8-7-9-11-21)13-12-24(17-38-29)39-25(41)28(5,6)40-26(42)44-27(2,3)4;1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)38-15-25(19-7-5-4-6-8-19)10-9-22(14-34-25)36-16-35-24(2,3)23(36)37;1-14(15-9-17(21(23,24)25)11-18(10-15)22(26,27)28)31-13-20(8-7-19(29)12-30-20)16-5-3-2-4-6-16/h7-11,14-16,19,24,38H,12-13,17-18H2,1-6H3,(H,39,41)(H,40,42);4-8,11-13,16-17,22,34H,9-10,14-15H2,1-3H3;2-6,9-11,14,19,30H,7-8,12-13,29H2,1H3/t19-,24+,29-;17-,22+,25-;14-,19+,20-/m111/s1.
What are the key properties of (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate?
(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 1619.63 g/mol, XLogP of 18.38, 19 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-amine;3-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-5,5-dimethylimidazol-4-one;tert-butyl N-[1-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 158476135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).