[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol

C19H25N3O2 — CID 130366542

IUPAC[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CO)cn2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(17-3-2-16-6-9-24-19(16)10-17)21-7-4-18(5-8-21)22-12-15(13-23)11-20-22/h2-3,10-12,14,18,23H,4-9,13H2,1H3
InChIKeyQJCBMJUOYASWDE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.71
Rot. Bonds4

About [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol

[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol (PubChem CID 130366542) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol
PubChem CID130366542
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CO)cn2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(17-3-2-16-6-9-24-19(16)10-17)21-7-4-18(5-8-21)22-12-15(13-23)11-20-22/h2-3,10-12,14,18,23H,4-9,13H2,1H3
InChIKeyQJCBMJUOYASWDE-UHFFFAOYSA-N
XLogP2.71
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol (CID 130366542) is [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol is CC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CO)cn2)CC1.
What is the InChIKey of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol?
The InChIKey is QJCBMJUOYASWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(17-3-2-16-6-9-24-19(16)10-17)21-7-4-18(5-8-21)22-12-15(13-23)11-20-22/h2-3,10-12,14,18,23H,4-9,13H2,1H3.
What are the key properties of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol?
[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanol is sourced from PubChem (CID 130366542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).