1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide

C14H20BrN3O — CID 82971943

IUPAC1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(Br)cc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-9(16)12-3-2-11(15)8-13(12)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19)
InChIKeyKJWSBIJNAZRVND-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.17
Rot. Bonds3

About 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide

1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide (PubChem CID 82971943) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
PubChem CID82971943
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide
SMILESCC(N)c1ccc(Br)cc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-9(16)12-3-2-11(15)8-13(12)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19)
InChIKeyKJWSBIJNAZRVND-UHFFFAOYSA-N
XLogP2.17
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-piperidin-1-ylphenyl)ethanamine
CID 82972487
1-[4-bromo-2-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 82971471
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337
1-[4-(1-aminoethyl)-3-hydroxyphenyl]piperidine-4-carboxamide
CID 79600593
2-[1-[5-bromo-2-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
CID 82970351
1-[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 82968374
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
1-[2-(1-aminoethyl)-4-bromophenyl]-6-methylpiperidine-3-carboxamide
CID 82968353
1-(5-bromo-2,3-dihydro-1H-indene-2-carbonyl)piperidine-4-carboxamide
CID 84577497
1-[5-bromo-2-(1-hydroxyethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 82970203
1-[4-bromo-2-(1-hydroxyethyl)phenyl]-N-methylpiperidine-4-carboxamide
CID 82969745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide (CID 82971943) is 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide is CC(N)c1ccc(Br)cc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide?
The InChIKey is KJWSBIJNAZRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9(16)12-3-2-11(15)8-13(12)18-6-4-10(5-7-18)14(17)19/h2-3,8-10H,4-7,16H2,1H3,(H2,17,19).
What are the key properties of 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide?
1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-5-bromophenyl]piperidine-4-carboxamide is sourced from PubChem (CID 82971943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).