1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

C17H27BrN2 — CID 63534076

IUPAC1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C17H27BrN2/c1-3-9-17(10-4-11-19-13-17)14-20(2)12-15-5-7-16(18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyYWBBIZYJIKJZQE-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine

1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (PubChem CID 63534076) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
PubChem CID63534076
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
SMILESCCCC1(CN(C)Cc2ccc(Br)cc2)CCCNC1
InChIInChI=1S/C17H27BrN2/c1-3-9-17(10-4-11-19-13-17)14-20(2)12-15-5-7-16(18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3
InChIKeyYWBBIZYJIKJZQE-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
N-[[1-(bromomethyl)cyclobutyl]methyl]-1-(4-bromophenyl)-N-methylmethanamine
CID 65009198
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
1-(furan-3-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143134
1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63142700
N-benzyl-N-[(3-propylpiperidin-3-yl)methyl]propan-2-amine
CID 63533952
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143036
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855
N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine (CID 63534076) is 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is CCCC1(CN(C)Cc2ccc(Br)cc2)CCCNC1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
The InChIKey is YWBBIZYJIKJZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-3-9-17(10-4-11-19-13-17)14-20(2)12-15-5-7-16(18)8-6-15/h5-8,19H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine?
1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine has a molecular weight of 339.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 63534076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).