1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine

C13H27N3 — CID 80551089

IUPAC1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
SMILESCC1CCN(CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C13H27N3/c1-12-4-7-15(10-12)11-13(2,3)16-8-5-14-6-9-16/h12,14H,4-11H2,1-3H3
InChIKeyOEKUPLPJLHBPOG-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds3

About 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine

1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine (PubChem CID 80551089) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
PubChem CID80551089
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine
SMILESCC1CCN(CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C13H27N3/c1-12-4-7-15(10-12)11-13(2,3)16-8-5-14-6-9-16/h12,14H,4-11H2,1-3H3
InChIKeyOEKUPLPJLHBPOG-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-4-(2-methyl-2-piperazin-1-ylpropyl)morpholine
CID 104959168
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 62270133
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 80548101
2-(cyclopropylamino)-2-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 64828276
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine (CID 80551089) is 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine is CC1CCN(CC(C)(C)N2CCNCC2)C1.
What is the InChIKey of 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine?
The InChIKey is OEKUPLPJLHBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-4-7-15(10-12)11-13(2,3)16-8-5-14-6-9-16/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine?
1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(3-methylpyrrolidin-1-yl)propan-2-yl]piperazine is sourced from PubChem (CID 80551089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).