N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine

C19H22N2O — CID 59044888

IUPACN-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine
SMILESC=NC1=C(/C=C\C)C(=C2CCNCC2)c2ccccc2OC1
InChIInChI=1S/C19H22N2O/c1-3-6-15-17(20-2)13-22-18-8-5-4-7-16(18)19(15)14-9-11-21-12-10-14/h3-8,21H,2,9-13H2,1H3/b6-3-
InChIKeyWQURFKRPGBAGRR-UTCJRWHESA-N
MW294.40 g/mol
LogP3.75
Rot. Bonds2

About N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine

N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine (PubChem CID 59044888) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine.

Molecular Properties

Compound NameN-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine
PubChem CID59044888
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine
SMILESC=NC1=C(/C=C\C)C(=C2CCNCC2)c2ccccc2OC1
InChIInChI=1S/C19H22N2O/c1-3-6-15-17(20-2)13-22-18-8-5-4-7-16(18)19(15)14-9-11-21-12-10-14/h3-8,21H,2,9-13H2,1H3/b6-3-
InChIKeyWQURFKRPGBAGRR-UTCJRWHESA-N
XLogP3.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine?
The IUPAC name of N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine (CID 59044888) is N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine.
What is the SMILES notation for N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine?
The canonical SMILES for N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine is C=NC1=C(/C=C\C)C(=C2CCNCC2)c2ccccc2OC1.
What is the InChIKey of N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine?
The InChIKey is WQURFKRPGBAGRR-UTCJRWHESA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-6-15-17(20-2)13-22-18-8-5-4-7-16(18)19(15)14-9-11-21-12-10-14/h3-8,21H,2,9-13H2,1H3/b6-3-.
What are the key properties of N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine?
N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine has a molecular weight of 294.40 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine is sourced from PubChem (CID 59044888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).