[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

C14H19BrClF3N2 — CID 120836748

IUPAC[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18BrF3N2.ClH/c15-12-4-3-11(13(6-12)14(16,17)18)9-20-5-1-2-10(7-19)8-20;/h3-4,6,10H,1-2,5,7-9,19H2;1H
InChIKeyYCOWGNVRMXGFBA-UHFFFAOYSA-N
MW387.67 g/mol
LogP4.06
Rot. Bonds3

About [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 120836748) has the molecular formula C14H19BrClF3N2 and a molecular weight of 387.67 g/mol. Its IUPAC name is [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID120836748
Molecular FormulaC14H19BrClF3N2
Molecular Weight387.67 g/mol
Exact Mass386.04
IUPAC Name[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(Br)cc2C(F)(F)F)C1
InChIInChI=1S/C14H18BrF3N2.ClH/c15-12-4-3-11(13(6-12)14(16,17)18)9-20-5-1-2-10(7-19)8-20;/h3-4,6,10H,1-2,5,7-9,19H2;1H
InChIKeyYCOWGNVRMXGFBA-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.67
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
3-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120842093
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 120834328
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
1-[(4-bromo-2-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 55183140
[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]methanamine
CID 79706155
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
5-bromo-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 106586019

Frequently Asked Questions

What is the IUPAC name of [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride (CID 120836748) is [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(Cc2ccc(Br)cc2C(F)(F)F)C1.
What is the InChIKey of [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is YCOWGNVRMXGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF3N2.ClH/c15-12-4-3-11(13(6-12)14(16,17)18)9-20-5-1-2-10(7-19)8-20;/h3-4,6,10H,1-2,5,7-9,19H2;1H.
What are the key properties of [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 387.67 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120836748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).