1-(3-bromophenyl)-2-piperidin-4-ylethanamine

C13H19BrN2 — CID 116936511

IUPAC1-(3-bromophenyl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10/h1-3,9-10,13,16H,4-8,15H2
InChIKeyDNJSFZIKXMKHQM-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.84
Rot. Bonds3

About 1-(3-bromophenyl)-2-piperidin-4-ylethanamine

1-(3-bromophenyl)-2-piperidin-4-ylethanamine (PubChem CID 116936511) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-piperidin-4-ylethanamine
PubChem CID116936511
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(3-bromophenyl)-2-piperidin-4-ylethanamine
SMILESNC(CC1CCNCC1)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10/h1-3,9-10,13,16H,4-8,15H2
InChIKeyDNJSFZIKXMKHQM-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
2-(3-bromophenoxy)-1-piperidin-4-ylethanamine
CID 117238821
3-(1-amino-2-cyclopropylethyl)benzenethiol
CID 55297793
3-[amino-(3-bromophenyl)methyl]cyclobutan-1-amine
CID 116937412
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
3-[(1R)-1-amino-2-cyclopropylethyl]benzonitrile;hydrochloride
CID 171201432
(1S)-1-(3-bromophenyl)but-3-en-1-amine
CID 50999165
N-[1-(3-bromophenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119716420
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-piperidin-4-ylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-piperidin-4-ylethanamine (CID 116936511) is 1-(3-bromophenyl)-2-piperidin-4-ylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-piperidin-4-ylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-piperidin-4-ylethanamine is NC(CC1CCNCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-piperidin-4-ylethanamine?
The InChIKey is DNJSFZIKXMKHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-3-1-2-11(9-12)13(15)8-10-4-6-16-7-5-10/h1-3,9-10,13,16H,4-8,15H2.
What are the key properties of 1-(3-bromophenyl)-2-piperidin-4-ylethanamine?
1-(3-bromophenyl)-2-piperidin-4-ylethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-piperidin-4-ylethanamine is sourced from PubChem (CID 116936511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).