3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride

C14H24Cl2N2O — CID 67585227

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
SMILESCCCc1cncc(OC[C@@H]2CCCN2C)c1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2;;/h8-10,13H,3-7,11H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyAGMDRRHFOHUACL-GXKRWWSZSA-N
MW307.27 g/mol
LogP3.35
Rot. Bonds5

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride

3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride (PubChem CID 67585227) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.27 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
PubChem CID67585227
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.27 g/mol
Exact Mass306.13
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
SMILESCCCc1cncc(OC[C@@H]2CCCN2C)c1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2;;/h8-10,13H,3-7,11H2,1-2H3;2*1H/t13-;;/m0../s1
InChIKeyAGMDRRHFOHUACL-GXKRWWSZSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
methyl 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]propanoate
CID 54571875
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649
3-(furan-2-yl)-5-[(1-methylpyrrolidin-2-yl)methoxy]pyridine;dihydrochloride
CID 23291975
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
CID 22872690
N-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]acetamide
CID 54479195
3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethynyl)pyridine
CID 18458929
2-chloro-3-ethyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54367867
2-chloro-N-ethyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54566968
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
N-ethyl-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridin-3-amine
CID 113424373
tert-butyl (2S)-2-[[5-(3-fluoropropyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 68826364

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride (CID 67585227) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride is CCCc1cncc(OC[C@@H]2CCCN2C)c1.Cl.Cl.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride?
The InChIKey is AGMDRRHFOHUACL-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-3-5-12-8-14(10-15-9-12)17-11-13-6-4-7-16(13)2;;/h8-10,13H,3-7,11H2,1-2H3;2*1H/t13-;;/m0../s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride?
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride is sourced from PubChem (CID 67585227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).