1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine

C17H27BrN2 — CID 63553090

IUPAC1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(c2cc(Br)ccc2CNC)CC1
InChIInChI=1S/C17H27BrN2/c1-4-17(5-2)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyPUQMONLRLJCPAH-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.58
Rot. Bonds5

About 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine

1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine (PubChem CID 63553090) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine
PubChem CID63553090
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine
SMILESCCC1(CC)CCN(c2cc(Br)ccc2CNC)CC1
InChIInChI=1S/C17H27BrN2/c1-4-17(5-2)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3
InChIKeyPUQMONLRLJCPAH-UHFFFAOYSA-N
XLogP4.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine (CID 63553090) is 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine is CCC1(CC)CCN(c2cc(Br)ccc2CNC)CC1.
What is the InChIKey of 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is PUQMONLRLJCPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-17(5-2)8-10-20(11-9-17)16-12-15(18)7-6-14(16)13-19-3/h6-7,12,19H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 339.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63553090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).