1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine

C14H17BrF3NO — CID 171337755

IUPAC1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrF3NO/c1-20-13(14(16,17)18)6-8-19(9-7-13)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyAFJXKAIMLQTDPX-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.99
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine

1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine (PubChem CID 171337755) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
PubChem CID171337755
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H17BrF3NO/c1-20-13(14(16,17)18)6-8-19(9-7-13)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyAFJXKAIMLQTDPX-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
4-methoxy-1-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 171999130
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 52542822
1-[(4-bromophenyl)methyl]-4-methylpiperidine-3,4-diol
CID 69106342
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
N-[1-[(4-bromophenyl)methyl]-4-methylpiperidin-4-yl]acetamide
CID 69106865
4,13-bis[(4-bromophenyl)methyl]-7,16,21,24-tetramethyl-1,4,7,10,13,16,21,24-octazabicyclo[8.8.8]hexacosane
CID 166072778
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847697
2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171337818
2-cyclopropyl-5-[[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 171994538
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine (CID 171337755) is 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine is COC1(C(F)(F)F)CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine?
The InChIKey is AFJXKAIMLQTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c1-20-13(14(16,17)18)6-8-19(9-7-13)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine?
1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine has a molecular weight of 352.19 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-methoxy-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 171337755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).