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

C16H25BrN2 — CID 63553277

IUPAC[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine
SMILESCCC1(CC)CCN(c2cc(Br)ccc2CN)CC1
InChIInChI=1S/C16H25BrN2/c1-3-16(4-2)7-9-19(10-8-16)15-11-14(17)6-5-13(15)12-18/h5-6,11H,3-4,7-10,12,18H2,1-2H3
InChIKeyHXSLVCWCEVCQBV-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.31
Rot. Bonds4

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

[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 63553277) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine
PubChem CID63553277
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine
SMILESCCC1(CC)CCN(c2cc(Br)ccc2CN)CC1
InChIInChI=1S/C16H25BrN2/c1-3-16(4-2)7-9-19(10-8-16)15-11-14(17)6-5-13(15)12-18/h5-6,11H,3-4,7-10,12,18H2,1-2H3
InChIKeyHXSLVCWCEVCQBV-UHFFFAOYSA-N
XLogP4.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine (CID 63553277) is [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine is CCC1(CC)CCN(c2cc(Br)ccc2CN)CC1.
What is the InChIKey of [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is HXSLVCWCEVCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-3-16(4-2)7-9-19(10-8-16)15-11-14(17)6-5-13(15)12-18/h5-6,11H,3-4,7-10,12,18H2,1-2H3.
What are the key properties of [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine?
[4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 325.29 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4,4-diethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 63553277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).