1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine

C14H21BrN2 — CID 55138055

IUPAC1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-16-10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyJUPCJAPVMUCBGE-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.88
Rot. Bonds4

About 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 55138055) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID55138055
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C14H21BrN2/c1-16-10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3
InChIKeyJUPCJAPVMUCBGE-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 113223431
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
1-[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922355
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554
1-[1-[(2-bromo-6-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838824
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55169050
1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922600
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 120838975
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)pyrrolidine
CID 114800506
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 55138055) is 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is JUPCJAPVMUCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-16-10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)15/h2-5,12,16H,6-11H2,1H3.
What are the key properties of 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 297.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55138055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).