1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine

C12H25N3O2 — CID 112739446

IUPAC1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
SMILESCOC(CN1CCC(N2CCNCC2)C1)OC
InChIInChI=1S/C12H25N3O2/c1-16-12(17-2)10-14-6-3-11(9-14)15-7-4-13-5-8-15/h11-13H,3-10H2,1-2H3
InChIKeyPPQVSPZMQZIMAT-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.42
Rot. Bonds5

About 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine

1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine (PubChem CID 112739446) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
PubChem CID112739446
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
SMILESCOC(CN1CCC(N2CCNCC2)C1)OC
InChIInChI=1S/C12H25N3O2/c1-16-12(17-2)10-14-6-3-11(9-14)15-7-4-13-5-8-15/h11-13H,3-10H2,1-2H3
InChIKeyPPQVSPZMQZIMAT-UHFFFAOYSA-N
XLogP-0.42
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,2-dimethoxyethyl)-3-piperidin-1-ylpiperidine
CID 99856888
1-(2,2-dimethoxyethyl)-4-piperidin-1-ylpiperidine
CID 66223606
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
CID 81093537
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968406
1-(2,2-dimethoxyethyl)pyrrolidin-3-amine
CID 66222555
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65447751

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine (CID 112739446) is 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine is COC(CN1CCC(N2CCNCC2)C1)OC.
What is the InChIKey of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine?
The InChIKey is PPQVSPZMQZIMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-16-12(17-2)10-14-6-3-11(9-14)15-7-4-13-5-8-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine?
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine has a molecular weight of 243.35 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 112739446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).