2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine

C17H20BrN3 — CID 104819734

IUPAC2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESBrc1ncccc1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20BrN3/c18-17-16(5-4-10-19-17)20-13-14-6-8-15(9-7-14)21-11-2-1-3-12-21/h4-10,20H,1-3,11-13H2
InChIKeyHTYUUWOXYBEMQR-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.45
Rot. Bonds4

About 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine

2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine (PubChem CID 104819734) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
PubChem CID104819734
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESBrc1ncccc1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20BrN3/c18-17-16(5-4-10-19-17)20-13-14-6-8-15(9-7-14)21-11-2-1-3-12-21/h4-10,20H,1-3,11-13H2
InChIKeyHTYUUWOXYBEMQR-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43782444
2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43766097
[2-[(4-pyrrolidin-1-ylphenyl)methylamino]phenyl]methanol
CID 43790512
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
2-bromo-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyridin-3-amine
CID 103744166
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
2-bromo-4-[[(2-pyrrolidin-1-yl-3-pyridinyl)amino]methyl]phenol
CID 63045195
2-bromo-4-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 81251895
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
2-methyl-3-methylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]aniline
CID 167753969
2-bromo-N-(1H-indol-6-ylmethyl)pyridin-3-amine
CID 114051468

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine (CID 104819734) is 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine is Brc1ncccc1NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine?
The InChIKey is HTYUUWOXYBEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-17-16(5-4-10-19-17)20-13-14-6-8-15(9-7-14)21-11-2-1-3-12-21/h4-10,20H,1-3,11-13H2.
What are the key properties of 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine?
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine has a molecular weight of 346.27 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 104819734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).