1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine

C16H22F3N — CID 71037169

IUPAC1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine
SMILESCC[C@H](c1ccc(C2CCN(C)CC2)cc1)C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-3-15(16(17,18)19)14-6-4-12(5-7-14)13-8-10-20(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyNMVYWTBPVXDDGL-OAHLLOKOSA-N
MW285.35 g/mol
LogP4.55
Rot. Bonds3

About 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine

1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine (PubChem CID 71037169) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine
PubChem CID71037169
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine
SMILESCC[C@H](c1ccc(C2CCN(C)CC2)cc1)C(F)(F)F
InChIInChI=1S/C16H22F3N/c1-3-15(16(17,18)19)14-6-4-12(5-7-14)13-8-10-20(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyNMVYWTBPVXDDGL-OAHLLOKOSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine?
The IUPAC name of 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine (CID 71037169) is 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine?
The canonical SMILES for 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine is CC[C@H](c1ccc(C2CCN(C)CC2)cc1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine?
The InChIKey is NMVYWTBPVXDDGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-15(16(17,18)19)14-6-4-12(5-7-14)13-8-10-20(2)11-9-13/h4-7,13,15H,3,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine?
1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(2R)-1,1,1-trifluorobutan-2-yl]phenyl]piperidine is sourced from PubChem (CID 71037169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).