4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

C15H28N2O — CID 106976552

IUPAC4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCCC1(CN2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-3-7-15(8-4-9-16-15)13-17-10-5-14(6-11-17)12-18-2/h5,16H,3-4,6-13H2,1-2H3
InChIKeyZHCMSLMBWOGESP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.19
Rot. Bonds6

About 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 106976552) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID106976552
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESCCCC1(CN2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C15H28N2O/c1-3-7-15(8-4-9-16-15)13-17-10-5-14(6-11-17)12-18-2/h5,16H,3-4,6-13H2,1-2H3
InChIKeyZHCMSLMBWOGESP-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
3-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113581635
2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpentan-1-amine
CID 113582030
4-(methoxymethyl)-1-[(4-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113582910
1-[(4-ethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 113584223
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 113750170
4-(methoxymethyl)-1-[(3-methylpiperidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113912821
1-[(3,3-dimethylpiperidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 114084498
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpentan-2-amine
CID 114410914
4-(methoxymethyl)-1-[(2-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 114410918
4-(methoxymethyl)-1-(2-pyrrolidin-3-ylethyl)-3,6-dihydro-2H-pyridine
CID 114410922
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 114410935

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine (CID 106976552) is 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is CCCC1(CN2CC=C(COC)CC2)CCCN1.
What is the InChIKey of 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZHCMSLMBWOGESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-3-7-15(8-4-9-16-15)13-17-10-5-14(6-11-17)12-18-2/h5,16H,3-4,6-13H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 252.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 106976552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).