4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine

C14H17BrF3N — CID 168993350

IUPAC4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine
SMILESCC(N1CCC(c2ccc(Br)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H17BrF3N/c1-10(14(16,17)18)19-8-6-12(7-9-19)11-2-4-13(15)5-3-11/h2-5,10,12H,6-9H2,1H3
InChIKeyKITCHTNYSFMLMZ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.58
Rot. Bonds2

About 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine

4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine (PubChem CID 168993350) has the molecular formula C14H17BrF3N and a molecular weight of 336.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine
PubChem CID168993350
Molecular FormulaC14H17BrF3N
Molecular Weight336.20 g/mol
Exact Mass335.05
IUPAC Name4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine
SMILESCC(N1CCC(c2ccc(Br)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H17BrF3N/c1-10(14(16,17)18)19-8-6-12(7-9-19)11-2-4-13(15)5-3-11/h2-5,10,12H,6-9H2,1H3
InChIKeyKITCHTNYSFMLMZ-UHFFFAOYSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)-1-propan-2-ylpiperidine
CID 69030309
1-[4-(4-bromophenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 71170432
3-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)pyrrolidine;N-ethyl-N-propan-2-ylpropan-2-amine
CID 90042076
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(3,3-difluorocyclobutyl)benzene;ethane
CID 167467914
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
amino-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]methanol
CID 146177045
[1-[4-(4-bromophenyl)piperidin-1-yl]-2-methylpropan-2-yl] formate
CID 175565606
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
3-(4-bromophenyl)-1-methylpiperidine
CID 58367593

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine (CID 168993350) is 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine is CC(N1CCC(c2ccc(Br)cc2)CC1)C(F)(F)F.
What is the InChIKey of 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine?
The InChIKey is KITCHTNYSFMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c1-10(14(16,17)18)19-8-6-12(7-9-19)11-2-4-13(15)5-3-11/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine?
4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine has a molecular weight of 336.20 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(1,1,1-trifluoropropan-2-yl)piperidine is sourced from PubChem (CID 168993350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).