(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate

C15H18F3NO2 — CID 156905517

IUPAC(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
SMILESO=C(OCC(c1ccccc1)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13(12-7-3-1-4-8-12)11-21-14(20)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyAJXKJLWXJNMSFF-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.95
Rot. Bonds3

About (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate

(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate (PubChem CID 156905517) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
PubChem CID156905517
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
SMILESO=C(OCC(c1ccccc1)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13(12-7-3-1-4-8-12)11-21-14(20)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyAJXKJLWXJNMSFF-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-6,6,6-trifluoro-3-oxo-5-phenyl-2-(pyrrolidine-1-carbonyl)hexanenitrile
CID 98361679
2,2-difluoroethyl piperidine-1-carboxylate
CID 91056424
benzyl piperidine-1-carboxylate
CID 158057698
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 86888015
1-[(3R)-3-aminopyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119411236
1-[2-(aminomethyl)pyrrolidin-1-yl]-4,4,4-trifluoro-3-phenylbutan-1-one
CID 119632680
[nitro(phenyl)methyl] pyrrolidine-1-carboxylate;trifluoromethanesulfonic acid
CID 161270693
4,4,4-trifluoro-1-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-3-phenylbutan-1-one
CID 166215010
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
CID 176962079
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312

Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate?
The IUPAC name of (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate (CID 156905517) is (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate.
What is the SMILES notation for (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate?
The canonical SMILES for (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate is O=C(OCC(c1ccccc1)C(F)(F)F)N1CCCCC1.
What is the InChIKey of (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate?
The InChIKey is AJXKJLWXJNMSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)13(12-7-3-1-4-8-12)11-21-14(20)19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate?
(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate has a molecular weight of 301.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate is sourced from PubChem (CID 156905517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).