2-chloro-4-(2-propylpiperidin-1-yl)pyridine

C13H19ClN2 — CID 104577128

IUPAC2-chloro-4-(2-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCCCN1c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-2-5-11-6-3-4-9-16(11)12-7-8-15-13(14)10-12/h7-8,10-11H,2-6,9H2,1H3
InChIKeyCRJWFJXHEHYENP-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-4-(2-propylpiperidin-1-yl)pyridine

2-chloro-4-(2-propylpiperidin-1-yl)pyridine (PubChem CID 104577128) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-4-(2-propylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-propylpiperidin-1-yl)pyridine
PubChem CID104577128
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-4-(2-propylpiperidin-1-yl)pyridine
SMILESCCCC1CCCCN1c1ccnc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-2-5-11-6-3-4-9-16(11)12-7-8-15-13(14)10-12/h7-8,10-11H,2-6,9H2,1H3
InChIKeyCRJWFJXHEHYENP-UHFFFAOYSA-N
XLogP3.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(2-ethylpyrrolidin-1-yl)pyridine
CID 102824042
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
4-(chloromethyl)-2-(2-propylpiperidin-1-yl)pyridine
CID 83062355
1-(2-chloro-4-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102824033
[4-(2-ethylazepan-1-yl)-2-pyridinyl]methanamine
CID 113441573
[1-(2-ethyl-4-pyridinyl)piperidin-2-yl]methanamine
CID 83837398
3-(2-propylpiperidin-1-yl)benzonitrile
CID 102817123
2-[1-[2-(aminomethyl)-4-pyridinyl]piperidin-2-yl]ethanol
CID 62925861
4-chloro-2-[(2-propylpiperidin-1-yl)methyl]pyridine
CID 83053677
4-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63766258
3-(2-propylpiperidin-1-yl)pyrazin-2-amine
CID 104577126
[1-[2-(propylamino)-4-pyridinyl]azepan-2-yl]methanol
CID 116640752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-propylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(2-propylpiperidin-1-yl)pyridine (CID 104577128) is 2-chloro-4-(2-propylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(2-propylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(2-propylpiperidin-1-yl)pyridine is CCCC1CCCCN1c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-propylpiperidin-1-yl)pyridine?
The InChIKey is CRJWFJXHEHYENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-5-11-6-3-4-9-16(11)12-7-8-15-13(14)10-12/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 2-chloro-4-(2-propylpiperidin-1-yl)pyridine?
2-chloro-4-(2-propylpiperidin-1-yl)pyridine has a molecular weight of 238.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-propylpiperidin-1-yl)pyridine is sourced from PubChem (CID 104577128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).