3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

C14H25N5O — CID 70709275

IUPAC3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CN1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C14H25N5O/c1-17-5-4-16-13(17)10-18-6-8-19(9-7-18)12-14(20)2-3-15-11-14/h4-5,15,20H,2-3,6-12H2,1H3
InChIKeyKQTIGFDSGOZKME-UHFFFAOYSA-N
MW279.39 g/mol
LogP-0.74
Rot. Bonds4

About 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70709275) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70709275
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCn1ccnc1CN1CCN(CC2(O)CCNC2)CC1
InChIInChI=1S/C14H25N5O/c1-17-5-4-16-13(17)10-18-6-8-19(9-7-18)12-14(20)2-3-15-11-14/h4-5,15,20H,2-3,6-12H2,1H3
InChIKeyKQTIGFDSGOZKME-UHFFFAOYSA-N
XLogP-0.74
TPSA56.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol 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 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol (CID 70709275) is 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is Cn1ccnc1CN1CCN(CC2(O)CCNC2)CC1.
What is the InChIKey of 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is KQTIGFDSGOZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-17-5-4-16-13(17)10-18-6-8-19(9-7-18)12-14(20)2-3-15-11-14/h4-5,15,20H,2-3,6-12H2,1H3.
What are the key properties of 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 279.39 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70709275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).