1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C16H23N3O2 — CID 107161905

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(CC2COc3ccccc32)CC1
InChIInChI=1S/C16H23N3O2/c1-16(15(17)18-20)6-8-19(9-7-16)10-12-11-21-14-5-3-2-4-13(12)14/h2-5,12,20H,6-11H2,1H3,(H2,17,18)
InChIKeyDOLZUGMLKAWPBM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.01
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107161905) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107161905
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(/C(N)=N/O)CCN(CC2COc3ccccc32)CC1
InChIInChI=1S/C16H23N3O2/c1-16(15(17)18-20)6-8-19(9-7-16)10-12-11-21-14-5-3-2-4-13(12)14/h2-5,12,20H,6-11H2,1H3,(H2,17,18)
InChIKeyDOLZUGMLKAWPBM-UHFFFAOYSA-N
XLogP2.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
CID 79229225
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114509498
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
CID 79229361
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methylpiperidine-4-carboxamide
CID 175893248
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide
CID 79680757
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepane
CID 80668167
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
CID 79229464
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107161905) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(/C(N)=N/O)CCN(CC2COc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is DOLZUGMLKAWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(15(17)18-20)6-8-19(9-7-16)10-12-11-21-14-5-3-2-4-13(12)14/h2-5,12,20H,6-11H2,1H3,(H2,17,18).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 289.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).