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

C21H31N3O — CID 45220341

IUPAC[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)(CCc3ccccc3)C2)c(C)n1
InChIInChI=1S/C21H31N3O/c1-3-24-15-20(18(2)22-24)14-23-13-7-11-21(16-23,17-25)12-10-19-8-5-4-6-9-19/h4-6,8-9,15,25H,3,7,10-14,16-17H2,1-2H3
InChIKeyIIGLSJJHBPLNBQ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.42
Rot. Bonds7

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

[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 45220341) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID45220341
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)(CCc3ccccc3)C2)c(C)n1
InChIInChI=1S/C21H31N3O/c1-3-24-15-20(18(2)22-24)14-23-13-7-11-21(16-23,17-25)12-10-19-8-5-4-6-9-19/h4-6,8-9,15,25H,3,7,10-14,16-17H2,1-2H3
InChIKeyIIGLSJJHBPLNBQ-UHFFFAOYSA-N
XLogP3.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 45220341) is [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is CCn1cc(CN2CCCC(CO)(CCc3ccccc3)C2)c(C)n1.
What is the InChIKey of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is IIGLSJJHBPLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-3-24-15-20(18(2)22-24)14-23-13-7-11-21(16-23,17-25)12-10-19-8-5-4-6-9-19/h4-6,8-9,15,25H,3,7,10-14,16-17H2,1-2H3.
What are the key properties of [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 341.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45220341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).