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

C17H20ClN3 — CID 133439763

IUPAC2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
SMILESClc1cc(NCc2ccccc2N2CCCCC2)ccn1
InChIInChI=1S/C17H20ClN3/c18-17-12-15(8-9-19-17)20-13-14-6-2-3-7-16(14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20)
InChIKeyMYEGILPRHIRJOE-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.34
Rot. Bonds4

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

2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine (PubChem CID 133439763) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
PubChem CID133439763
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
SMILESClc1cc(NCc2ccccc2N2CCCCC2)ccn1
InChIInChI=1S/C17H20ClN3/c18-17-12-15(8-9-19-17)20-13-14-6-2-3-7-16(14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20)
InChIKeyMYEGILPRHIRJOE-UHFFFAOYSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 103756564
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
2,4-dichloro-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43758691
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184
1-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]tetrazol-5-amine
CID 68584679
N-tert-butyl-2-[[(2-chloro-4-pyridinyl)amino]methyl]benzenesulfonamide
CID 133360241
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-chloro-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133359820
2-chloro-N-(2-morpholin-4-ylphenyl)pyridin-4-amine
CID 142656515
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine (CID 133439763) is 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine is Clc1cc(NCc2ccccc2N2CCCCC2)ccn1.
What is the InChIKey of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is MYEGILPRHIRJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-17-12-15(8-9-19-17)20-13-14-6-2-3-7-16(14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,19,20).
What are the key properties of 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine?
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133439763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).