1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine

C14H20BrFN2 — CID 81437105

IUPAC1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyOHVWVMJYWZSTJV-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.02
Rot. Bonds4

About 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 81437105) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID81437105
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H20BrFN2/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3
InChIKeyOHVWVMJYWZSTJV-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
2-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 81441772
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
CID 63250976
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 81437105) is 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is OHVWVMJYWZSTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-17-9-11-4-6-18(7-5-11)10-12-2-3-13(15)14(16)8-12/h2-3,8,11,17H,4-7,9-10H2,1H3.
What are the key properties of 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 81437105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).