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

C15H21N3O2 — CID 79229225

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CC2COc3ccccc32)CC1
InChIInChI=1S/C15H21N3O2/c16-15(17-19)11-5-7-18(8-6-11)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,11-12,19H,5-10H2,(H2,16,17)
InChIKeyZJJFFDRWCLQFSS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.62
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 79229225) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID79229225
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(CC2COc3ccccc32)CC1
InChIInChI=1S/C15H21N3O2/c16-15(17-19)11-5-7-18(8-6-11)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,11-12,19H,5-10H2,(H2,16,17)
InChIKeyZJJFFDRWCLQFSS-UHFFFAOYSA-N
XLogP1.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.62
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'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161905
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
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
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
(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)-2-methylpiperidin-4-amine
CID 113284538
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-methylpiperidine-2-carboxylic acid
CID 107072320
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
CID 79230311
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
CID 79229361

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide (CID 79229225) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(CC2COc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is ZJJFFDRWCLQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(17-19)11-5-7-18(8-6-11)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,11-12,19H,5-10H2,(H2,16,17).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 1.62, 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'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 79229225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).