(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine

C10H20N4 — CID 162358247

IUPAC(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-12-6-8-14(9-7-12)10(11)13-4-2-3-5-13/h11H,2-9H2,1H3/b11-10+
InChIKeyRIYKKBXXGIZNDL-ZHACJKMWSA-N
MW196.30 g/mol
LogP0.26
Rot. Bonds

About (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine

(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine (PubChem CID 162358247) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine
PubChem CID162358247
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine
SMILES[H]/N=C(\N1CCCC1)N1CCN(C)CC1
InChIInChI=1S/C10H20N4/c1-12-6-8-14(9-7-12)10(11)13-4-2-3-5-13/h11H,2-9H2,1H3/b11-10+
InChIKeyRIYKKBXXGIZNDL-ZHACJKMWSA-N
XLogP0.26
TPSA33.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine (CID 162358247) is (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine is [H]/N=C(\N1CCCC1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine?
The InChIKey is RIYKKBXXGIZNDL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N4/c1-12-6-8-14(9-7-12)10(11)13-4-2-3-5-13/h11H,2-9H2,1H3/b11-10+.
What are the key properties of (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine?
(4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine has a molecular weight of 196.30 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 162358247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).