(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol

C16H25N5O — CID 45228146

IUPAC(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1ccn(CCN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C16H25N5O/c1-13-3-9-21(18-13)12-11-20-7-4-14(5-8-20)15(22)16-17-6-10-19(16)2/h3,6,9-10,14-15,22H,4-5,7-8,11-12H2,1-2H3
InChIKeyRGUQEGZUTGBYOI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.37
Rot. Bonds5

About (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol

(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 45228146) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
PubChem CID45228146
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1ccn(CCN2CCC(C(O)c3nccn3C)CC2)n1
InChIInChI=1S/C16H25N5O/c1-13-3-9-21(18-13)12-11-20-7-4-14(5-8-20)15(22)16-17-6-10-19(16)2/h3,6,9-10,14-15,22H,4-5,7-8,11-12H2,1-2H3
InChIKeyRGUQEGZUTGBYOI-UHFFFAOYSA-N
XLogP1.37
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol (CID 45228146) is (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol is Cc1ccn(CCN2CCC(C(O)c3nccn3C)CC2)n1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is RGUQEGZUTGBYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-3-9-21(18-13)12-11-20-7-4-14(5-8-20)15(22)16-17-6-10-19(16)2/h3,6,9-10,14-15,22H,4-5,7-8,11-12H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol?
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 303.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 45228146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).