2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine

C12H24N2O — CID 103534656

IUPAC2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
SMILESCOC1CCN(CC2CC(C)CCN2)C1
InChIInChI=1S/C12H24N2O/c1-10-3-5-13-11(7-10)8-14-6-4-12(9-14)15-2/h10-13H,3-9H2,1-2H3
InChIKeyHSMWNKTWMJAREM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds3

About 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine

2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine (PubChem CID 103534656) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
PubChem CID103534656
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
SMILESCOC1CCN(CC2CC(C)CCN2)C1
InChIInChI=1S/C12H24N2O/c1-10-3-5-13-11(7-10)8-14-6-4-12(9-14)15-2/h10-13H,3-9H2,1-2H3
InChIKeyHSMWNKTWMJAREM-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 114421617
1-[(3-methoxycyclobutyl)methyl]-4-methylpiperidine
CID 129199350
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
ethane;2-ethyl-4-methylpiperidine
CID 142379207

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine?
The IUPAC name of 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine (CID 103534656) is 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine.
What is the SMILES notation for 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine?
The canonical SMILES for 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine is COC1CCN(CC2CC(C)CCN2)C1.
What is the InChIKey of 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine?
The InChIKey is HSMWNKTWMJAREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-3-5-13-11(7-10)8-14-6-4-12(9-14)15-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine?
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine is sourced from PubChem (CID 103534656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).