[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C15H26N4O — CID 70722274

IUPAC[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2cnc[nH]2)C[C@H]1CN1CCCCC1
InChIInChI=1S/C15H26N4O/c20-11-14-9-19(10-15-6-16-12-17-15)8-13(14)7-18-4-2-1-3-5-18/h6,12-14,20H,1-5,7-11H2,(H,16,17)/t13-,14-/m1/s1
InChIKeyDGTGOISEGRUMSX-ZIAGYGMSSA-N
MW278.40 g/mol
LogP0.94
Rot. Bonds5

About [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70722274) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70722274
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(Cc2cnc[nH]2)C[C@H]1CN1CCCCC1
InChIInChI=1S/C15H26N4O/c20-11-14-9-19(10-15-6-16-12-17-15)8-13(14)7-18-4-2-1-3-5-18/h6,12-14,20H,1-5,7-11H2,(H,16,17)/t13-,14-/m1/s1
InChIKeyDGTGOISEGRUMSX-ZIAGYGMSSA-N
XLogP0.94
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-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 [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70722274) is [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(Cc2cnc[nH]2)C[C@H]1CN1CCCCC1.
What is the InChIKey of [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is DGTGOISEGRUMSX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26N4O/c20-11-14-9-19(10-15-6-16-12-17-15)8-13(14)7-18-4-2-1-3-5-18/h6,12-14,20H,1-5,7-11H2,(H,16,17)/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70722274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).