1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine

C15H23BrN2O — CID 60969227

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)C)CC2)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-15(19-3)14(16)10-12/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyXYPNNVNMQAHHPQ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.98
Rot. Bonds4

About 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine

1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 60969227) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID60969227
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN2CCC(N(C)C)CC2)cc1Br
InChIInChI=1S/C15H23BrN2O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-15(19-3)14(16)10-12/h4-5,10,13H,6-9,11H2,1-3H3
InChIKeyXYPNNVNMQAHHPQ-UHFFFAOYSA-N
XLogP2.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropiperidine
CID 63389605
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methoxybenzenecarbothioamide
CID 65339067
4-[(3-bromo-4-methoxyphenyl)methyl]thiomorpholine
CID 6456105
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
1-[[3-methoxy-4-(methylamino)phenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 163534558
4-(2-bromoethoxy)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidine
CID 82691842
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine
CID 1067931
1-[(3-bromo-4-methoxyphenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388236
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpyrrolidine
CID 112695958
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1131781

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine (CID 60969227) is 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine is COc1ccc(CN2CCC(N(C)C)CC2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is XYPNNVNMQAHHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17(2)13-6-8-18(9-7-13)11-12-4-5-15(19-3)14(16)10-12/h4-5,10,13H,6-9,11H2,1-3H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine?
1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 60969227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).