1-methyl-4-pyrrolidin-3-ylpiperazine

C9H19N3 — CID 14627376

IUPAC1-methyl-4-pyrrolidin-3-ylpiperazine
SMILESCN1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H19N3/c1-11-4-6-12(7-5-11)9-2-3-10-8-9/h9-10H,2-8H2,1H3
InChIKeySCNMGRFCMUWUNN-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.40
Rot. Bonds1

About 1-methyl-4-pyrrolidin-3-ylpiperazine

1-methyl-4-pyrrolidin-3-ylpiperazine (PubChem CID 14627376) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-3-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-3-ylpiperazine
PubChem CID14627376
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-methyl-4-pyrrolidin-3-ylpiperazine
SMILESCN1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H19N3/c1-11-4-6-12(7-5-11)9-2-3-10-8-9/h9-10H,2-8H2,1H3
InChIKeySCNMGRFCMUWUNN-UHFFFAOYSA-N
XLogP-0.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-3-ylpiperazine?
The IUPAC name of 1-methyl-4-pyrrolidin-3-ylpiperazine (CID 14627376) is 1-methyl-4-pyrrolidin-3-ylpiperazine.
What is the SMILES notation for 1-methyl-4-pyrrolidin-3-ylpiperazine?
The canonical SMILES for 1-methyl-4-pyrrolidin-3-ylpiperazine is CN1CCN(C2CCNC2)CC1.
What is the InChIKey of 1-methyl-4-pyrrolidin-3-ylpiperazine?
The InChIKey is SCNMGRFCMUWUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-4-6-12(7-5-11)9-2-3-10-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-3-ylpiperazine?
1-methyl-4-pyrrolidin-3-ylpiperazine has a molecular weight of 169.27 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-3-ylpiperazine is sourced from PubChem (CID 14627376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).