2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine

C15H23BrN2O — CID 134148531

IUPAC2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3
InChIKeyLAWOIDJHIVKWDO-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.65
Rot. Bonds6

About 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine

2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine (PubChem CID 134148531) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
PubChem CID134148531
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3
InChIKeyLAWOIDJHIVKWDO-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine (CID 134148531) is 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(OCc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The InChIKey is LAWOIDJHIVKWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3.
What are the key properties of 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methoxy]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134148531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).