1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine

C14H18BrF3N2 — CID 65483428

IUPAC1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18BrF3N2/c1-19-8-10-3-2-6-20(9-10)13-5-4-11(15)7-12(13)14(16,17)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3
InChIKeyKVURRFBEPDLWEP-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.90
Rot. Bonds3

About 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine

1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine (PubChem CID 65483428) has the molecular formula C14H18BrF3N2 and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
PubChem CID65483428
Molecular FormulaC14H18BrF3N2
Molecular Weight351.21 g/mol
Exact Mass350.06
IUPAC Name1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCCN(c2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18BrF3N2/c1-19-8-10-3-2-6-20(9-10)13-5-4-11(15)7-12(13)14(16,17)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3
InChIKeyKVURRFBEPDLWEP-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
1-[1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511575
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
N-[[(3R)-1-[4-nitro-2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]acetamide
CID 95187085
N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
CID 62585621
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 106587694
3-(bromomethyl)-1-[2-bromo-4-(trifluoromethyl)phenyl]piperidine
CID 113326063
[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]methanol
CID 114061365
2-[4-bromo-2-(trifluoromethyl)phenyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922449

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine (CID 65483428) is 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine is CNCC1CCCN(c2ccc(Br)cc2C(F)(F)F)C1.
What is the InChIKey of 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine?
The InChIKey is KVURRFBEPDLWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2/c1-19-8-10-3-2-6-20(9-10)13-5-4-11(15)7-12(13)14(16,17)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine?
1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine has a molecular weight of 351.21 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 65483428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).