(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine

C15H19F4N — CID 140925003

IUPAC(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19F4N/c1-10(2)20-8-7-12(15(17,18)19)9-14(20)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyRLPJZVUSMAIMQQ-GXTWGEPZSA-N
MW289.32 g/mol
LogP4.55
Rot. Bonds2

About (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine

(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine (PubChem CID 140925003) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
PubChem CID140925003
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
SMILESCC(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H19F4N/c1-10(2)20-8-7-12(15(17,18)19)9-14(20)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3/t12-,14+/m0/s1
InChIKeyRLPJZVUSMAIMQQ-GXTWGEPZSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The IUPAC name of (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine (CID 140925003) is (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The canonical SMILES for (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine is CC(C)N1CC[C@H](C(F)(F)F)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
The InChIKey is RLPJZVUSMAIMQQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H19F4N/c1-10(2)20-8-7-12(15(17,18)19)9-14(20)11-3-5-13(16)6-4-11/h3-6,10,12,14H,7-9H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine?
(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine has a molecular weight of 289.32 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 140925003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).