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

C19H24N2O — CID 59977767

IUPACN-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine
SMILESC/C=C\C1=C(NC)COc2ccccc2C1=C1CCNCC1
InChIInChI=1S/C19H24N2O/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/h3-8,20-21H,9-13H2,1-2H3/b6-3-
InChIKeyUWWRNEXEHPDAHJ-UTCJRWHESA-N
MW296.41 g/mol
LogP3.27
Rot. Bonds2

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

N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine (PubChem CID 59977767) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine.

Molecular Properties

Compound NameN-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine
PubChem CID59977767
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine
SMILESC/C=C\C1=C(NC)COc2ccccc2C1=C1CCNCC1
InChIInChI=1S/C19H24N2O/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/h3-8,20-21H,9-13H2,1-2H3/b6-3-
InChIKeyUWWRNEXEHPDAHJ-UTCJRWHESA-N
XLogP3.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine?
The IUPAC name of N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine (CID 59977767) is N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine.
What is the SMILES notation for N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine?
The canonical SMILES for N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine is C/C=C\C1=C(NC)COc2ccccc2C1=C1CCNCC1.
What is the InChIKey of N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine?
The InChIKey is UWWRNEXEHPDAHJ-UTCJRWHESA-N. The full InChI is InChI=1S/C19H24N2O/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/h3-8,20-21H,9-13H2,1-2H3/b6-3-.
What are the key properties of N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine?
N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine is sourced from PubChem (CID 59977767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).