2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine

C15H21Cl2N3 — CID 106993757

IUPAC2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1ccc(CN2CCC(N3CCCCC3)C2)c(Cl)n1
InChIInChI=1S/C15H21Cl2N3/c16-14-5-4-12(15(17)18-14)10-19-9-6-13(11-19)20-7-2-1-3-8-20/h4-5,13H,1-3,6-11H2
InChIKeyLIMHTZGVDWTVCZ-UHFFFAOYSA-N
MW314.26 g/mol
LogP3.45
Rot. Bonds3

About 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine

2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine (PubChem CID 106993757) has the molecular formula C15H21Cl2N3 and a molecular weight of 314.26 g/mol. Its IUPAC name is 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
PubChem CID106993757
Molecular FormulaC15H21Cl2N3
Molecular Weight314.26 g/mol
Exact Mass313.11
IUPAC Name2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine
SMILESClc1ccc(CN2CCC(N3CCCCC3)C2)c(Cl)n1
InChIInChI=1S/C15H21Cl2N3/c16-14-5-4-12(15(17)18-14)10-19-9-6-13(11-19)20-7-2-1-3-8-20/h4-5,13H,1-3,6-11H2
InChIKeyLIMHTZGVDWTVCZ-UHFFFAOYSA-N
XLogP3.45
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
2,4-dichloro-5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 116518981
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
3-chloro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 102669966
1-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 55159178

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine (CID 106993757) is 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine is Clc1ccc(CN2CCC(N3CCCCC3)C2)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
The InChIKey is LIMHTZGVDWTVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3/c16-14-5-4-12(15(17)18-14)10-19-9-6-13(11-19)20-7-2-1-3-8-20/h4-5,13H,1-3,6-11H2.
What are the key properties of 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine?
2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine has a molecular weight of 314.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine is sourced from PubChem (CID 106993757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).