(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine

C19H25F3N4O — CID 168826852

IUPAC(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)O[C@]1(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(C)nn2)N[C@@H](C)C1
InChIInChI=1S/C19H25F3N4O/c1-12(2)27-18(14-5-7-15(8-6-14)19(20,21)22)9-13(3)23-16(10-18)17-11-26(4)25-24-17/h5-8,11-13,16,23H,9-10H2,1-4H3/t13-,16-,18-/m0/s1
InChIKeyISHAXUNQGMBAFN-OWQGQXMQSA-N
MW382.43 g/mol
LogP3.97
Rot. Bonds4

About (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 168826852) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID168826852
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)O[C@]1(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(C)nn2)N[C@@H](C)C1
InChIInChI=1S/C19H25F3N4O/c1-12(2)27-18(14-5-7-15(8-6-14)19(20,21)22)9-13(3)23-16(10-18)17-11-26(4)25-24-17/h5-8,11-13,16,23H,9-10H2,1-4H3/t13-,16-,18-/m0/s1
InChIKeyISHAXUNQGMBAFN-OWQGQXMQSA-N
XLogP3.97
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(3-Methyltriazol-4-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine;hydrochloride
CID 18942158
3-[[3-(3-Methyltriazol-4-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
CID 18942159
(2S,3S)-3-[[3-(3-methyltriazol-4-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
CID 57051102
1-[[4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]phenyl]methyl]-4-methyltriazole
CID 59154941
3-(3-Methyltriazol-4-yl)-2-phenyl-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride
CID 67665767
3-[[3-(3-Methyltriazol-4-yl)-2-phenyl-5-(trifluoromethyl)phenyl]methoxy]piperidine;hydrochloride
CID 67665770
[2S,3S]-2-phenyl-3-[3-(1-methyl-1H-[1,2,3]triazol-5-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine hydrochloride
CID 67717432
2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-(4-piperidin-4-ylphenyl)propan-2-yl]triazol-4-yl]-N-methylethanamine
CID 71066594
(1R*,2R*,5S*,6R*)-2-{[3,5-bis(trifluoromethyl)phenyl]methoxy}-6-(3-methyl-1,2,3-triazol-5-yl)-1-phenyl-8-azabicyclo[3.2.1]octane
CID 86586719
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-(1-methyltriazol-4-yl)-1-phenyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 87949733
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-(1-methyltriazol-4-yl)-1-phenyl-8-azabicyclo[3.2.1]octane
CID 87949734
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-(3-methyltriazol-4-yl)-1-phenyl-8-azabicyclo[3.2.1]octane
CID 87949845

Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine (CID 168826852) is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine is CC(C)O[C@]1(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cn(C)nn2)N[C@@H](C)C1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is ISHAXUNQGMBAFN-OWQGQXMQSA-N. The full InChI is InChI=1S/C19H25F3N4O/c1-12(2)27-18(14-5-7-15(8-6-14)19(20,21)22)9-13(3)23-16(10-18)17-11-26(4)25-24-17/h5-8,11-13,16,23H,9-10H2,1-4H3/t13-,16-,18-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine?
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 382.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-propan-2-yloxy-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 168826852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).