N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine

C14H18N2O2 — CID 66365727

IUPACN-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C14H18N2O2/c17-15-12-5-7-16(8-6-12)10-13-9-11-3-1-2-4-14(11)18-13/h1-4,13,17H,5-10H2
InChIKeySECQZBYTPQKQJN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.92
Rot. Bonds2

About N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine

N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine (PubChem CID 66365727) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
PubChem CID66365727
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine
SMILESON=C1CCN(CC2Cc3ccccc3O2)CC1
InChIInChI=1S/C14H18N2O2/c17-15-12-5-7-16(8-6-12)10-13-9-11-3-1-2-4-14(11)18-13/h1-4,13,17H,5-10H2
InChIKeySECQZBYTPQKQJN-UHFFFAOYSA-N
XLogP1.92
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 80667627
1-(2-chloroethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1,4-diazepane
CID 66364035
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524219
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
2-[4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazin-1-yl]propan-1-amine
CID 66347219
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 66363591
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 66364759

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine (CID 66365727) is N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine is ON=C1CCN(CC2Cc3ccccc3O2)CC1.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
The InChIKey is SECQZBYTPQKQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-15-12-5-7-16(8-6-12)10-13-9-11-3-1-2-4-14(11)18-13/h1-4,13,17H,5-10H2.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine?
N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine has a molecular weight of 246.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 66365727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).