2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C13H25N3 — CID 166934540

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CCN(C2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C13H25N3/c1-14-3-5-16(6-4-14)13-7-11-9-15(2)10-12(11)8-13/h11-13H,3-10H2,1-2H3
InChIKeyBFBMMLUUJYCDPN-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.57
Rot. Bonds1

About 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 166934540) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID166934540
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCN1CCN(C2CC3CN(C)CC3C2)CC1
InChIInChI=1S/C13H25N3/c1-14-3-5-16(6-4-14)13-7-11-9-15(2)10-12(11)8-13/h11-13H,3-10H2,1-2H3
InChIKeyBFBMMLUUJYCDPN-UHFFFAOYSA-N
XLogP0.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 166934540) is 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CN1CCN(C2CC3CN(C)CC3C2)CC1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is BFBMMLUUJYCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-14-3-5-16(6-4-14)13-7-11-9-15(2)10-12(11)8-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 223.36 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 166934540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).