2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide

C14H20BrN3O — CID 114884814

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
SMILESCC(N)C1CCN(c2cccc(Br)c2C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyLTLIDARQEVSKHT-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.11
Rot. Bonds3

About 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide

2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide (PubChem CID 114884814) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
PubChem CID114884814
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
SMILESCC(N)C1CCN(c2cccc(Br)c2C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19)
InChIKeyLTLIDARQEVSKHT-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-bromo-6-(4-propan-2-ylazepan-1-yl)benzoic acid
CID 114888271
2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
CID 114884842
2-[1-(3-bromo-2-carbamoylphenyl)piperidin-4-yl]oxyacetic acid
CID 114880178
2-bromo-N'-hydroxy-6-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 114883288
4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
CID 55215528
2-bromo-6-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 114888088
2-[1-(3-bromo-2-carbamoylphenyl)azetidin-3-yl]acetic acid
CID 114880202
2-[1-(3-bromo-2-carbamothioylphenyl)piperidin-4-yl]acetamide
CID 114882193
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
1-[1-(2-methyl-3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55218228
2-bromo-6-(3-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide (CID 114884814) is 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide is CC(N)C1CCN(c2cccc(Br)c2C(N)=O)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide?
The InChIKey is LTLIDARQEVSKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-9(16)10-5-7-18(8-6-10)12-4-2-3-11(15)13(12)14(17)19/h2-4,9-10H,5-8,16H2,1H3,(H2,17,19).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide has a molecular weight of 326.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide is sourced from PubChem (CID 114884814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).