4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine

C12H22N2O — CID 114410989

IUPAC4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C12H22N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h4,12-13H,2-3,5-10H2,1H3
InChIKeyHXMODJFIAXGKGT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.02
Rot. Bonds4

About 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine

4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114410989) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID114410989
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCOCC1=CCN(CC2CCCN2)CC1
InChIInChI=1S/C12H22N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h4,12-13H,2-3,5-10H2,1H3
InChIKeyHXMODJFIAXGKGT-UHFFFAOYSA-N
XLogP1.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.02
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

ethane;4-methyl-3,6-dihydro-2H-pyran;2-methylpyrrolidine
CID 166094131
(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine;molecular hydrogen;hydrate
CID 176965612
4-(methoxymethyl)-1-[(3-methylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 102776256
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341
4-(methoxymethyl)-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine
CID 105576215
1-[(4-methoxypyrrolidin-2-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 106315003
4-(methoxymethyl)-1-[(2-propylpyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 106976552
4-(methoxymethyl)-1-[(4-methoxypyrrolidin-2-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581617
5-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113581639

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine (CID 114410989) is 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine is COCC1=CCN(CC2CCCN2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HXMODJFIAXGKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-15-10-11-4-7-14(8-5-11)9-12-3-2-6-13-12/h4,12-13H,2-3,5-10H2,1H3.
What are the key properties of 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine?
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 210.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114410989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).