2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine

C16H20N4 — CID 63179146

IUPAC2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C16H20N4/c17-13-8-9-18-16(12-13)19-14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H3,17,18,19)
InChIKeyAFUZUTJBIQLNFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.40
Rot. Bonds3

About 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine

2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine (PubChem CID 63179146) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
PubChem CID63179146
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C16H20N4/c17-13-8-9-18-16(12-13)19-14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H3,17,18,19)
InChIKeyAFUZUTJBIQLNFN-UHFFFAOYSA-N
XLogP3.40
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
piperidin-1-yl-[2-(4-pyrrolidin-1-ylanilino)-4-pyridinyl]methanone
CID 109166180
2-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 116796160
4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4,6-triamine
CID 80812289
3-N-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazole-3,5-diamine
CID 141379231
2-N-[4-(dimethylamino)phenyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112906073
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)pyridine-4-carboxamide
CID 109178749
4-(azepan-1-yl)pyridin-2-amine
CID 21059926
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
2-bromo-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine
CID 63179637
4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,5-diamine
CID 79917986
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine (CID 63179146) is 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine is Nc1ccnc(Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine?
The InChIKey is AFUZUTJBIQLNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-13-8-9-18-16(12-13)19-14-4-6-15(7-5-14)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2,(H3,17,18,19).
What are the key properties of 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine?
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 63179146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).