1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine

C12H25N3 — CID 63621062

IUPAC1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine
SMILESCC1CN(CCC2CCCN2)CCN1C
InChIInChI=1S/C12H25N3/c1-11-10-15(9-8-14(11)2)7-5-12-4-3-6-13-12/h11-13H,3-10H2,1-2H3
InChIKeyHWDHJOLDEPQVEL-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds3

About 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine

1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine (PubChem CID 63621062) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine
PubChem CID63621062
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine
SMILESCC1CN(CCC2CCCN2)CCN1C
InChIInChI=1S/C12H25N3/c1-11-10-15(9-8-14(11)2)7-5-12-4-3-6-13-12/h11-13H,3-10H2,1-2H3
InChIKeyHWDHJOLDEPQVEL-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
2,6-dimethyl-4-(2-pyrrolidin-2-ylethyl)morpholine
CID 61366072
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
3-ethyl-1-(2-piperidin-2-ylethyl)piperidine
CID 43584590
1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
2-[2-(3-ethylazetidin-1-yl)ethyl]pyrrolidine
CID 114794707
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
CID 56831635
N,N-dimethyl-1-(2-pyrrolidin-2-ylethyl)piperidin-4-amine
CID 61364502
1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
CID 63609006
1-ethyl-2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819534

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine?
The IUPAC name of 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine (CID 63621062) is 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine.
What is the SMILES notation for 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine?
The canonical SMILES for 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine is CC1CN(CCC2CCCN2)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine?
The InChIKey is HWDHJOLDEPQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-11-10-15(9-8-14(11)2)7-5-12-4-3-6-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine?
1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(2-pyrrolidin-2-ylethyl)piperazine is sourced from PubChem (CID 63621062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).