1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine

C15H24BrN3 — CID 63782727

IUPAC1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)14-6-9-19(10-7-14)15-11-13(16)4-3-12(15)5-8-17/h3-4,11,14H,5-10,17H2,1-2H3
InChIKeyQQWPNEOGYCRJLC-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine

1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 63782727) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID63782727
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2cc(Br)ccc2CCN)CC1
InChIInChI=1S/C15H24BrN3/c1-18(2)14-6-9-19(10-7-14)15-11-13(16)4-3-12(15)5-8-17/h3-4,11,14H,5-10,17H2,1-2H3
InChIKeyQQWPNEOGYCRJLC-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine (CID 63782727) is 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2cc(Br)ccc2CCN)CC1.
What is the InChIKey of 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is QQWPNEOGYCRJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-18(2)14-6-9-19(10-7-14)15-11-13(16)4-3-12(15)5-8-17/h3-4,11,14H,5-10,17H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-5-bromophenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 63782727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).