N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

C14H22BrClN2 — CID 119929518

IUPACN-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1ccc(Br)cc1)CC1CCNCC1.Cl
InChIInChI=1S/C14H21BrN2.ClH/c1-17(11-13-6-8-16-9-7-13)10-12-2-4-14(15)5-3-12;/h2-5,13,16H,6-11H2,1H3;1H
InChIKeyZGDOSPWCNWISFM-UHFFFAOYSA-N
MW333.70 g/mol
LogP3.30
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride

N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 119929518) has the molecular formula C14H22BrClN2 and a molecular weight of 333.70 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
PubChem CID119929518
Molecular FormulaC14H22BrClN2
Molecular Weight333.70 g/mol
Exact Mass332.07
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
SMILESCN(Cc1ccc(Br)cc1)CC1CCNCC1.Cl
InChIInChI=1S/C14H21BrN2.ClH/c1-17(11-13-6-8-16-9-7-13)10-12-2-4-14(15)5-3-12;/h2-5,13,16H,6-11H2,1H3;1H
InChIKeyZGDOSPWCNWISFM-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717100
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 19358411
2-(4-bromophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 119929603
N-methyl-N-(naphthalen-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929695
N-benzyl-4-bromo-N-(piperidin-4-ylmethyl)aniline;hydrochloride
CID 90018953
N-benzyl-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 56831736
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385037
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120849776
N-[(3-bromofuran-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 106885993
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride (CID 119929518) is N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is CN(Cc1ccc(Br)cc1)CC1CCNCC1.Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is ZGDOSPWCNWISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2.ClH/c1-17(11-13-6-8-16-9-7-13)10-12-2-4-14(15)5-3-12;/h2-5,13,16H,6-11H2,1H3;1H.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride?
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 333.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 119929518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).