N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine

C17H20BrN3 — CID 29049157

IUPACN-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H20BrN3/c18-15-6-7-17(19-12-15)20-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,19,20)
InChIKeyRZOVRMPTBGASPO-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.92
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine

N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine (PubChem CID 29049157) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
PubChem CID29049157
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C17H20BrN3/c18-15-6-7-17(19-12-15)20-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,19,20)
InChIKeyRZOVRMPTBGASPO-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

(E)-3-[6-[(1-benzylpiperidin-4-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 86603772
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
(E)-3-[6-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87636921
3-[6-[(1-benzylpyrrolidin-3-yl)amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 73060716
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
1-benzyl-N-methylpiperidin-4-amine
CID 4136128

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine (CID 29049157) is N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine is Brc1ccc(NC2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine?
The InChIKey is RZOVRMPTBGASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-15-6-7-17(19-12-15)20-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13H2,(H,19,20).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine?
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-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-4-yl)-5-bromopyridin-2-amine is sourced from PubChem (CID 29049157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).