N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine

C17H20ClN3 — CID 80522263

IUPACN-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
SMILESClc1cc(NC2CCCN(Cc3ccccc3)C2)ccn1
InChIInChI=1S/C17H20ClN3/c18-17-11-15(8-9-19-17)20-16-7-4-10-21(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,19,20)
InChIKeyYCSGQAGBYWWTBH-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.81
Rot. Bonds4

About N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine

N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine (PubChem CID 80522263) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
PubChem CID80522263
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
SMILESClc1cc(NC2CCCN(Cc3ccccc3)C2)ccn1
InChIInChI=1S/C17H20ClN3/c18-17-11-15(8-9-19-17)20-16-7-4-10-21(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,19,20)
InChIKeyYCSGQAGBYWWTBH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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

1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
6-[[(3R)-1-benzylpiperidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290566
N-(1-benzylpiperidin-3-yl)-2-methylpyridin-3-amine
CID 79042917
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
4-[(1-benzylpiperidin-3-yl)amino]-2-methylbenzenecarbothioamide
CID 113259599
1-benzyl-N-(3-bromo-4-nitrophenyl)piperidin-3-amine
CID 113343345
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
N-(1-benzylpiperidin-3-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273828
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 59290812

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine (CID 80522263) is N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine is Clc1cc(NC2CCCN(Cc3ccccc3)C2)ccn1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine?
The InChIKey is YCSGQAGBYWWTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-17-11-15(8-9-19-17)20-16-7-4-10-21(13-16)12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,19,20).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine?
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine has a molecular weight of 301.82 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine is sourced from PubChem (CID 80522263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).