N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine

C17H27BrN2 — CID 83200199

IUPACN-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
SMILESCN(Cc1cccc(Br)c1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C17H27BrN2/c1-17(2,15-7-5-9-19-11-15)13-20(3)12-14-6-4-8-16(18)10-14/h4,6,8,10,15,19H,5,7,9,11-13H2,1-3H3
InChIKeyNPVIMZBBEOYROX-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.91
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine

N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine (PubChem CID 83200199) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
PubChem CID83200199
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
SMILESCN(Cc1cccc(Br)c1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C17H27BrN2/c1-17(2,15-7-5-9-19-11-15)13-20(3)12-14-6-4-8-16(18)10-14/h4,6,8,10,15,19H,5,7,9,11-13H2,1-3H3
InChIKeyNPVIMZBBEOYROX-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
N-[(3-bromophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 62327410
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83198293
4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
CID 83198617
N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N,2-dimethyl-2-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 83198928
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N,N-dimethyl-1-[[methyl-(2-methyl-2-piperidin-3-ylpropyl)amino]methyl]cyclobutan-1-amine
CID 105421322
methyl 3-[(3-bromophenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79619783
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine (CID 83200199) is N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine is CN(Cc1cccc(Br)c1)CC(C)(C)C1CCCNC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The InChIKey is NPVIMZBBEOYROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-17(2,15-7-5-9-19-11-15)13-20(3)12-14-6-4-8-16(18)10-14/h4,6,8,10,15,19H,5,7,9,11-13H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 83200199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).