1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C14H21BrClFN2 — CID 120838824

IUPAC1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2c(F)cccc2Br)CC1.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-13(15)3-2-4-14(12)16;/h2-4,11,17H,5-10H2,1H3;1H
InChIKeyIRSBUSMJIWYBQG-UHFFFAOYSA-N
MW351.69 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120838824) has the molecular formula C14H21BrClFN2 and a molecular weight of 351.69 g/mol. Its IUPAC name is 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID120838824
Molecular FormulaC14H21BrClFN2
Molecular Weight351.69 g/mol
Exact Mass350.06
IUPAC Name1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2c(F)cccc2Br)CC1.Cl
InChIInChI=1S/C14H20BrFN2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-13(15)3-2-4-14(12)16;/h2-4,11,17H,5-10H2,1H3;1H
InChIKeyIRSBUSMJIWYBQG-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

1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
1-[1-[(2-ethyl-6-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838596
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
1-[(2,6-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115300011

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 120838824) is 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2c(F)cccc2Br)CC1.Cl.
What is the InChIKey of 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is IRSBUSMJIWYBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2.ClH/c1-17-9-11-5-7-18(8-6-11)10-12-13(15)3-2-4-14(12)16;/h2-4,11,17H,5-10H2,1H3;1H.
What are the key properties of 1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(2-bromo-6-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-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120838824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).