1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine

C15H19BrF3N — CID 175666595

IUPAC1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCN(CCCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrF3N/c16-14-7-5-12(6-8-14)3-1-9-20-10-2-4-13(11-20)15(17,18)19/h5-8,13H,1-4,9-11H2
InChIKeyIYROLGGNPQZDPB-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine

1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine (PubChem CID 175666595) has the molecular formula C15H19BrF3N and a molecular weight of 350.22 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
PubChem CID175666595
Molecular FormulaC15H19BrF3N
Molecular Weight350.22 g/mol
Exact Mass349.07
IUPAC Name1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCN(CCCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrF3N/c16-14-7-5-12(6-8-14)3-1-9-20-10-2-4-13(11-20)15(17,18)19/h5-8,13H,1-4,9-11H2
InChIKeyIYROLGGNPQZDPB-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-bromophenyl)propyl]-3-methylpiperidine
CID 175666594
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
4-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]aniline
CID 115342194
(3S)-3-[(4-bromophenyl)-difluoromethyl]-1-(3-fluoropropyl)pyrrolidine
CID 170189794
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
4-[3-[3-(trifluoromethyl)piperidin-1-yl]propoxy]benzoic acid
CID 166176353
1-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 170453833
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
CID 163585810
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine (CID 175666595) is 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine is FC(F)(F)C1CCCN(CCCc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine?
The InChIKey is IYROLGGNPQZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N/c16-14-7-5-12(6-8-14)3-1-9-20-10-2-4-13(11-20)15(17,18)19/h5-8,13H,1-4,9-11H2.
What are the key properties of 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine?
1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine has a molecular weight of 350.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 175666595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).