1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine

C14H24N4 — CID 82296742

IUPAC1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine
SMILESCN1CCN(C(c2cc[nH]c2)C2CCCN2)CC1
InChIInChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)14(12-4-6-15-11-12)13-3-2-5-16-13/h4,6,11,13-16H,2-3,5,7-10H2,1H3
InChIKeyDXDKVROIEQJBCS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.06
Rot. Bonds3

About 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine

1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine (PubChem CID 82296742) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine
PubChem CID82296742
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine
SMILESCN1CCN(C(c2cc[nH]c2)C2CCCN2)CC1
InChIInChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)14(12-4-6-15-11-12)13-3-2-5-16-13/h4,6,11,13-16H,2-3,5,7-10H2,1H3
InChIKeyDXDKVROIEQJBCS-UHFFFAOYSA-N
XLogP1.06
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine (CID 82296742) is 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine is CN1CCN(C(c2cc[nH]c2)C2CCCN2)CC1.
What is the InChIKey of 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine?
The InChIKey is DXDKVROIEQJBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)14(12-4-6-15-11-12)13-3-2-5-16-13/h4,6,11,13-16H,2-3,5,7-10H2,1H3.
What are the key properties of 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine?
1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[pyrrolidin-2-yl(1H-pyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 82296742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).