[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol

C12H25N3O — CID 117270870

IUPAC[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCN(CC2CNC(C)(CO)C2)CC1
InChIInChI=1S/C12H25N3O/c1-12(10-16)7-11(8-13-12)9-15-5-3-14(2)4-6-15/h11,13,16H,3-10H2,1-2H3
InChIKeyJWJIQBGSRLFBEI-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.41
Rot. Bonds3

About [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol

[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 117270870) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID117270870
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCN1CCN(CC2CNC(C)(CO)C2)CC1
InChIInChI=1S/C12H25N3O/c1-12(10-16)7-11(8-13-12)9-15-5-3-14(2)4-6-15/h11,13,16H,3-10H2,1-2H3
InChIKeyJWJIQBGSRLFBEI-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol (CID 117270870) is [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol is CN1CCN(CC2CNC(C)(CO)C2)CC1.
What is the InChIKey of [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is JWJIQBGSRLFBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(10-16)7-11(8-13-12)9-15-5-3-14(2)4-6-15/h11,13,16H,3-10H2,1-2H3.
What are the key properties of [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol?
[2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).