4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine

C12H24N2O2 — CID 103533927

IUPAC4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CN(CC2CCNCC2)CC1OC
InChIInChI=1S/C12H24N2O2/c1-15-11-8-14(9-12(11)16-2)7-10-3-5-13-6-4-10/h10-13H,3-9H2,1-2H3
InChIKeyQZCVMZJKKWAEHU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.33
Rot. Bonds4

About 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine

4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine (PubChem CID 103533927) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
PubChem CID103533927
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
SMILESCOC1CN(CC2CCNCC2)CC1OC
InChIInChI=1S/C12H24N2O2/c1-15-11-8-14(9-12(11)16-2)7-10-3-5-13-6-4-10/h10-13H,3-9H2,1-2H3
InChIKeyQZCVMZJKKWAEHU-UHFFFAOYSA-N
XLogP0.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-6-ethoxy-3-(piperidin-4-ylmethyl)-3-azabicyclo[3.1.0]hexane
CID 176695256
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
5-(piperidin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 146558610
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
ethane;6-hydroperoxy-3-(piperidin-4-ylmethyl)-3-azabicyclo[3.1.0]hexane;molecular hydrogen
CID 176695142
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
CID 166490165
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
CID 171564874
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]morpholine
CID 103533931

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine (CID 103533927) is 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine is COC1CN(CC2CCNCC2)CC1OC.
What is the InChIKey of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine?
The InChIKey is QZCVMZJKKWAEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-15-11-8-14(9-12(11)16-2)7-10-3-5-13-6-4-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine?
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine has a molecular weight of 228.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 103533927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).