11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol

C19H21NO2 — CID 14677713

IUPAC11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
SMILESOC1(C2CCNCC2)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-8,15,20-21H,9-13H2
InChIKeyDCMBRYDPOALBBV-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.81
Rot. Bonds1

About 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol

11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol (PubChem CID 14677713) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol.

Molecular Properties

Compound Name11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
PubChem CID14677713
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
SMILESOC1(C2CCNCC2)c2ccccc2COc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-8,15,20-21H,9-13H2
InChIKeyDCMBRYDPOALBBV-UHFFFAOYSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperidin-4-ylchromeno[2,3-c]pyridin-5-ol
CID 15296906
11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
CID 42635064
9-(1-methylpiperidin-4-yl)xanthen-9-ol
CID 14175791
11-pyridin-4-yl-6H-benzo[c][1]benzoxepin-11-ol
CID 14677712
N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine
CID 21301576
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
CID 102154676
(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol
CID 125494655
4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine
CID 70378884
(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 54250565
spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10420425

Frequently Asked Questions

What is the IUPAC name of 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The IUPAC name of 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol (CID 14677713) is 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol.
What is the SMILES notation for 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The canonical SMILES for 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol is OC1(C2CCNCC2)c2ccccc2COc2ccccc21.
What is the InChIKey of 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
The InChIKey is DCMBRYDPOALBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(15-9-11-20-12-10-15)16-6-2-1-5-14(16)13-22-18-8-4-3-7-17(18)19/h1-8,15,20-21H,9-13H2.
What are the key properties of 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol?
11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol has a molecular weight of 295.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-piperidin-4-yl-6H-benzo[c][1]benzoxepin-11-ol is sourced from PubChem (CID 14677713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).