3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine

C12H24N2O — CID 62370527

IUPAC3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCCOC1CCCN(CC2CCNC2)C1
InChIInChI=1S/C12H24N2O/c1-2-15-12-4-3-7-14(10-12)9-11-5-6-13-8-11/h11-13H,2-10H2,1H3
InChIKeyQMIRMCQQHAWJDK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds4

About 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine

3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 62370527) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID62370527
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCCOC1CCCN(CC2CCNC2)C1
InChIInChI=1S/C12H24N2O/c1-2-15-12-4-3-7-14(10-12)9-11-5-6-13-8-11/h11-13H,2-10H2,1H3
InChIKeyQMIRMCQQHAWJDK-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
2-[1-(piperidin-3-ylmethyl)piperidin-3-yl]oxyethanol
CID 119931535
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
(3S)-3-[(2-fluorophenyl)methoxy]-1-(piperidin-4-ylmethyl)piperidine
CID 120853525
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)piperidine
CID 62370892
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
1-[(2-methylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 106740986
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
4-[[3-(2-methylpropoxy)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119932458
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
1-(3-ethoxypiperidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65448874

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine (CID 62370527) is 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine is CCOC1CCCN(CC2CCNC2)C1.
What is the InChIKey of 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is QMIRMCQQHAWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-15-12-4-3-7-14(10-12)9-11-5-6-13-8-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine?
3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 62370527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).