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

C19H26N4O — CID 130377221

IUPAC[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CN)cn2)CC1
InChIInChI=1S/C19H26N4O/c1-14(17-3-2-16-6-9-24-19(16)10-17)22-7-4-18(5-8-22)23-13-15(11-20)12-21-23/h2-3,10,12-14,18H,4-9,11,20H2,1H3
InChIKeyNRQOVGWECJQAPH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds4

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

[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine (PubChem CID 130377221) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine
PubChem CID130377221
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CN)cn2)CC1
InChIInChI=1S/C19H26N4O/c1-14(17-3-2-16-6-9-24-19(16)10-17)22-7-4-18(5-8-22)23-13-15(11-20)12-21-23/h2-3,10,12-14,18H,4-9,11,20H2,1H3
InChIKeyNRQOVGWECJQAPH-UHFFFAOYSA-N
XLogP2.67
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
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]methanamine?
The IUPAC name of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine (CID 130377221) is [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine is CC(c1ccc2c(c1)OCC2)N1CCC(n2cc(CN)cn2)CC1.
What is the InChIKey of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine?
The InChIKey is NRQOVGWECJQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(17-3-2-16-6-9-24-19(16)10-17)22-7-4-18(5-8-22)23-13-15(11-20)12-21-23/h2-3,10,12-14,18H,4-9,11,20H2,1H3.
What are the key properties of [1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine?
[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methanamine has a molecular weight of 326.44 g/mol, XLogP of 2.67, 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]methanamine is sourced from PubChem (CID 130377221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).