1-[2-(3-bromophenyl)ethyl]piperidin-3-amine

C13H19BrN2 — CID 82160236

IUPAC1-[2-(3-bromophenyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCc2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)6-8-16-7-2-5-13(15)10-16/h1,3-4,9,13H,2,5-8,10,15H2
InChIKeyRQTAOIBOPCXYFD-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.41
Rot. Bonds3

About 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine

1-[2-(3-bromophenyl)ethyl]piperidin-3-amine (PubChem CID 82160236) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]piperidin-3-amine
PubChem CID82160236
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[2-(3-bromophenyl)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCc2cccc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)6-8-16-7-2-5-13(15)10-16/h1,3-4,9,13H,2,5-8,10,15H2
InChIKeyRQTAOIBOPCXYFD-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402
1-[2-(3-bromophenyl)ethyl]piperidine-4-carboxylic acid
CID 95404985
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine;hydrochloride
CID 119909999
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine (CID 82160236) is 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine is NC1CCCN(CCc2cccc(Br)c2)C1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine?
The InChIKey is RQTAOIBOPCXYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-4-1-3-11(9-12)6-8-16-7-2-5-13(15)10-16/h1,3-4,9,13H,2,5-8,10,15H2.
What are the key properties of 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine?
1-[2-(3-bromophenyl)ethyl]piperidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 82160236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).