1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

C13H20BrClN2 — CID 119923471

IUPAC1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C13H19BrN2.ClH/c1-15-13-6-8-16(9-7-13)10-11-2-4-12(14)5-3-11;/h2-5,13,15H,6-10H2,1H3;1H
InChIKeyFDLKUBGXDWSKFM-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.05
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride

1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119923471) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119923471
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC Name1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(Br)cc2)CC1.Cl
InChIInChI=1S/C13H19BrN2.ClH/c1-15-13-6-8-16(9-7-13)10-11-2-4-12(14)5-3-11;/h2-5,13,15H,6-10H2,1H3;1H
InChIKeyFDLKUBGXDWSKFM-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-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
CID 119128198
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(methylamino)butanamide
CID 119899083
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
1-[(4-bromophenyl)methyl]-N-(oxolan-3-yl)piperidin-4-amine
CID 71969177
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119923471) is 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(Cc2ccc(Br)cc2)CC1.Cl.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is FDLKUBGXDWSKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2.ClH/c1-15-13-6-8-16(9-7-13)10-11-2-4-12(14)5-3-11;/h2-5,13,15H,6-10H2,1H3;1H.
What are the key properties of 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
1-[(4-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 1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119923471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).