4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine

C14H21ClN2O — CID 103537257

IUPAC4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(N2CCC(OC)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-3-4-12-7-11(9-15)8-14(16-12)17-6-5-13(10-17)18-2/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyKHLQFJYZSPZZOG-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.00
Rot. Bonds5

About 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine

4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine (PubChem CID 103537257) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine
PubChem CID103537257
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine
SMILESCCCc1cc(CCl)cc(N2CCC(OC)C2)n1
InChIInChI=1S/C14H21ClN2O/c1-3-4-12-7-11(9-15)8-14(16-12)17-6-5-13(10-17)18-2/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyKHLQFJYZSPZZOG-UHFFFAOYSA-N
XLogP3.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methoxypiperidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 102964270
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2-methyl-1,4-oxazepane
CID 113380721
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
[2-(3,4-dimethylpyrrolidin-1-yl)-6-propyl-4-pyridinyl]methanol
CID 113380522
4-[4-(chloromethyl)-6-propyl-2-pyridinyl]-2,2,6,6-tetramethylmorpholine
CID 102745239
4-(chloromethyl)-2-(2-ethylpiperidin-1-yl)-6-propylpyridine
CID 113380643
4-chloro-2-cyclopropyl-6-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536578
N-[[6-(3-methoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 103539323
1-[4-(chloromethyl)phenyl]-3-methoxypyrrolidine
CID 103535515
4-(chloromethyl)-2-(3-cyclopropylpyrazol-1-yl)-6-propylpyridine
CID 113380789
6-(3-methoxypiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971529
6-(3-methoxypyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 103541717

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine?
The IUPAC name of 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine (CID 103537257) is 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine is CCCc1cc(CCl)cc(N2CCC(OC)C2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine?
The InChIKey is KHLQFJYZSPZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-12-7-11(9-15)8-14(16-12)17-6-5-13(10-17)18-2/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine?
4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine has a molecular weight of 268.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(3-methoxypyrrolidin-1-yl)-6-propylpyridine is sourced from PubChem (CID 103537257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).