N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H22BrFN2 — CID 79716481

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(F)cc(Br)c1)CC1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-19(10-12-3-5-18-6-4-12)11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyHIGACBMEXKIIPY-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.41
Rot. Bonds5

About N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79716481) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79716481
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cc(F)cc(Br)c1)CC1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-19(10-12-3-5-18-6-4-12)11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyHIGACBMEXKIIPY-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616244
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-[(3-bromo-5-nitrophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638317
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79716481) is N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1cc(F)cc(Br)c1)CC1CCNCC1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is HIGACBMEXKIIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-19(10-12-3-5-18-6-4-12)11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79716481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).