N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

C17H22N4 — CID 66387456

IUPACN-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESNc1ccccc1CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H22N4/c18-16-6-2-1-5-14(16)13-20-15-8-11-21(12-9-15)17-7-3-4-10-19-17/h1-7,10,15,20H,8-9,11-13,18H2
InChIKeyHUMHMJPJDWKNNT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.42
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine

N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 66387456) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID66387456
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESNc1ccccc1CNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H22N4/c18-16-6-2-1-5-14(16)13-20-15-8-11-21(12-9-15)17-7-3-4-10-19-17/h1-7,10,15,20H,8-9,11-13,18H2
InChIKeyHUMHMJPJDWKNNT-UHFFFAOYSA-N
XLogP2.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767
N-[(4,5-dibromofuran-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 62084118
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 102673300
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
N-[(6-bromo-2-pyridinyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 115937851
N-[(3-fluorophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675369
1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 43761318
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethylurea
CID 83111405
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 103275609
N-[(2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75446101

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine (CID 66387456) is N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is Nc1ccccc1CNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is HUMHMJPJDWKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c18-16-6-2-1-5-14(16)13-20-15-8-11-21(12-9-15)17-7-3-4-10-19-17/h1-7,10,15,20H,8-9,11-13,18H2.
What are the key properties of N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 66387456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).