[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

C15H26N4O — CID 70710048

IUPAC[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCn1ccnc1CN1C[C@@H](CN2CCCC2)[C@@H](CO)C1
InChIInChI=1S/C15H26N4O/c1-17-7-4-16-15(17)11-19-9-13(14(10-19)12-20)8-18-5-2-3-6-18/h4,7,13-14,20H,2-3,5-6,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyXVMUAJVEZBBDSC-ZIAGYGMSSA-N
MW278.40 g/mol
LogP0.56
Rot. Bonds5

About [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 70710048) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID70710048
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
SMILESCn1ccnc1CN1C[C@@H](CN2CCCC2)[C@@H](CO)C1
InChIInChI=1S/C15H26N4O/c1-17-7-4-16-15(17)11-19-9-13(14(10-19)12-20)8-18-5-2-3-6-18/h4,7,13-14,20H,2-3,5-6,8-12H2,1H3/t13-,14-/m1/s1
InChIKeyXVMUAJVEZBBDSC-ZIAGYGMSSA-N
XLogP0.56
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol (CID 70710048) is [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is Cn1ccnc1CN1C[C@@H](CN2CCCC2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is XVMUAJVEZBBDSC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26N4O/c1-17-7-4-16-15(17)11-19-9-13(14(10-19)12-20)8-18-5-2-3-6-18/h4,7,13-14,20H,2-3,5-6,8-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70710048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).