N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine

C17H20BrN3 — CID 104777098

IUPACN-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
SMILESBrc1cnccc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H20BrN3/c18-16-11-19-9-8-17(16)20-15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,20)
InChIKeyVGBRUNIUXZJNGN-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.92
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine

N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine (PubChem CID 104777098) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
PubChem CID104777098
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
SMILESBrc1cnccc1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H20BrN3/c18-16-11-19-9-8-17(16)20-15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,20)
InChIKeyVGBRUNIUXZJNGN-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
CID 21098440
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
CID 113384475
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine (CID 104777098) is N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine is Brc1cnccc1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine?
The InChIKey is VGBRUNIUXZJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-16-11-19-9-8-17(16)20-15-7-4-10-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine?
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine is sourced from PubChem (CID 104777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).