1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine

C15H23BrN2 — CID 63595473

IUPAC1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-11(17)13-6-8-18(9-7-13)12(2)14-4-3-5-15(16)10-14/h3-5,10-13H,6-9,17H2,1-2H3
InChIKeySRUYKEQGPYRHJA-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.57
Rot. Bonds3

About 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine

1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine (PubChem CID 63595473) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
PubChem CID63595473
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C(C)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-11(17)13-6-8-18(9-7-13)12(2)14-4-3-5-15(16)10-14/h3-5,10-13H,6-9,17H2,1-2H3
InChIKeySRUYKEQGPYRHJA-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(4-bromophenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920985
1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
1-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-4-yl]ethanamine
CID 63595990
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
4-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]benzonitrile
CID 63596877
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
1-[1-[1-(4-methylsulfonylphenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595825
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine (CID 63595473) is 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(C(C)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine?
The InChIKey is SRUYKEQGPYRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(17)13-6-8-18(9-7-13)12(2)14-4-3-5-15(16)10-14/h3-5,10-13H,6-9,17H2,1-2H3.
What are the key properties of 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine?
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63595473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).