N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

C13H20BrClN2 — CID 119912776

IUPACN-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(Cc1ccccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2.ClH/c1-16(12-6-8-15-9-7-12)10-11-4-2-3-5-13(11)14;/h2-5,12,15H,6-10H2,1H3;1H
InChIKeyBOTGSVINEQCZIX-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.05
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119912776) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119912776
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCN(Cc1ccccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C13H19BrN2.ClH/c1-16(12-6-8-15-9-7-12)10-11-4-2-3-5-13(11)14;/h2-5,12,15H,6-10H2,1H3;1H
InChIKeyBOTGSVINEQCZIX-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylazetidin-3-amine
CID 62784251
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N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
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2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
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N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
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N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
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N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146007
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
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CID 103314084

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119912776) is N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is CN(Cc1ccccc1Br)C1CCNCC1.Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is BOTGSVINEQCZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2.ClH/c1-16(12-6-8-15-9-7-12)10-11-4-2-3-5-13(11)14;/h2-5,12,15H,6-10H2,1H3;1H.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 319.67 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119912776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).