N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine

C16H25BrN2 — CID 55047549

IUPACN-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCCN1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-19(13-14-7-9-15(17)10-8-14)12-4-6-16-5-2-3-11-18-16/h7-10,16,18H,2-6,11-13H2,1H3
InChIKeyRWDCQDLMYJABIZ-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine

N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine (PubChem CID 55047549) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
PubChem CID55047549
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
SMILESCN(CCCC1CCCCN1)Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-19(13-14-7-9-15(17)10-8-14)12-4-6-16-5-2-3-11-18-16/h7-10,16,18H,2-6,11-13H2,1H3
InChIKeyRWDCQDLMYJABIZ-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62480473
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
N-(furan-2-ylmethyl)-N-methyl-3-pyrrolidin-2-ylpropan-1-amine
CID 62479770
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
N-(2-methoxyethyl)-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 62212504
N-[(4-bromophenyl)methyl]-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230571
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210481
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine (CID 55047549) is N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine is CN(CCCC1CCCCN1)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine?
The InChIKey is RWDCQDLMYJABIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-19(13-14-7-9-15(17)10-8-14)12-4-6-16-5-2-3-11-18-16/h7-10,16,18H,2-6,11-13H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine?
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.80, 6 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-3-piperidin-2-ylpropan-1-amine is sourced from PubChem (CID 55047549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).