1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C14H21BrClFN2 — CID 119922355

IUPAC1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccc(F)cc2Br)CC1.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(16)8-14(12)15;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H
InChIKeyMLHQHVIGSSCITH-UHFFFAOYSA-N
MW351.69 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922355) has the molecular formula C14H21BrClFN2 and a molecular weight of 351.69 g/mol. Its IUPAC name is 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922355
Molecular FormulaC14H21BrClFN2
Molecular Weight351.69 g/mol
Exact Mass350.06
IUPAC Name1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2ccc(F)cc2Br)CC1.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(16)8-14(12)15;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H
InChIKeyMLHQHVIGSSCITH-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591864
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
1-[(2-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388702
N-[[1-[(2-bromo-5-fluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80552381
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267587
1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidine
CID 60711879
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 119922355) is 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2ccc(F)cc2Br)CC1.Cl.
What is the InChIKey of 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is MLHQHVIGSSCITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2.ClH/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(16)8-14(12)15;/h2-3,8,11,17H,4-7,9-10H2,1H3;1H.
What are the key properties of 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 351.69 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).