4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol

C21H30N4O — CID 92565798

IUPAC4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESCc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H30N4O/c1-18-22-10-15-25(18)17-21(26)8-13-23(14-9-21)16-19-4-6-20(7-5-19)24-11-2-3-12-24/h4-7,10,15,26H,2-3,8-9,11-14,16-17H2,1H3
InChIKeyHRAGXZOHSIUQET-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.82
Rot. Bonds5

About 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol

4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (PubChem CID 92565798) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
PubChem CID92565798
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESCc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1
InChIInChI=1S/C21H30N4O/c1-18-22-10-15-25(18)17-21(26)8-13-23(14-9-21)16-19-4-6-20(7-5-19)24-11-2-3-12-24/h4-7,10,15,26H,2-3,8-9,11-14,16-17H2,1H3
InChIKeyHRAGXZOHSIUQET-UHFFFAOYSA-N
XLogP2.82
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (CID 92565798) is 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is Cc1nccn1CC1(O)CCN(Cc2ccc(N3CCCC3)cc2)CC1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The InChIKey is HRAGXZOHSIUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-18-22-10-15-25(18)17-21(26)8-13-23(14-9-21)16-19-4-6-20(7-5-19)24-11-2-3-12-24/h4-7,10,15,26H,2-3,8-9,11-14,16-17H2,1H3.
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol has a molecular weight of 354.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 92565798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).