11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine

C18H18N2O — CID 10423688

IUPAC11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine
SMILESc1cnc2c(c1)COc1ccccc1C2=C1CCNCC1
InChIInChI=1S/C18H18N2O/c1-2-6-16-15(5-1)17(13-7-10-19-11-8-13)18-14(12-21-16)4-3-9-20-18/h1-6,9,19H,7-8,10-12H2
InChIKeyKCXSLHGPOQZCEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.16
Rot. Bonds

About 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine

11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine (PubChem CID 10423688) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine.

Molecular Properties

Compound Name11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine
PubChem CID10423688
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine
SMILESc1cnc2c(c1)COc1ccccc1C2=C1CCNCC1
InChIInChI=1S/C18H18N2O/c1-2-6-16-15(5-1)17(13-7-10-19-11-8-13)18-14(12-21-16)4-3-9-20-18/h1-6,9,19H,7-8,10-12H2
InChIKeyKCXSLHGPOQZCEQ-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propan-1-ol
CID 22980541
8-chloro-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
CID 15341447
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene chloride
CID 126479926
8-methoxy-11-(1-methylpiperidin-4-ylidene)-5H-[1]benzoxepino[4,3-b]pyridine
CID 10358767
N-methyl-5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-amine
CID 59977767
2-(11-piperidin-4-ylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanol
CID 58820419
methyl 2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-13-carboxylate
CID 18715440
N-[5-piperidin-4-ylidene-4-[(Z)-prop-1-enyl]-2H-1-benzoxepin-3-yl]methanimine
CID 59044888
8-chloro-11-[1-[(1-oxidopyridin-1-ium-4-yl)methyl]piperidin-4-ylidene]-5H-[1]benzoxepino[4,3-b]pyridine
CID 15780499
4-(8-chloro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)-N-cyanopiperidine-1-carboximidothioate
CID 23289842
3-[4-(9-acetyl-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
CID 10453117
6H-benzo[c]chromene;hydrobromide
CID 70547533

Frequently Asked Questions

What is the IUPAC name of 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine?
The IUPAC name of 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine (CID 10423688) is 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine.
What is the SMILES notation for 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine?
The canonical SMILES for 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine is c1cnc2c(c1)COc1ccccc1C2=C1CCNCC1.
What is the InChIKey of 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine?
The InChIKey is KCXSLHGPOQZCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-16-15(5-1)17(13-7-10-19-11-8-13)18-14(12-21-16)4-3-9-20-18/h1-6,9,19H,7-8,10-12H2.
What are the key properties of 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine?
11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine has a molecular weight of 278.36 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-piperidin-4-ylidene-5H-[1]benzoxepino[4,3-b]pyridine is sourced from PubChem (CID 10423688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).