13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol

C19H19ClN2O — CID 10359050

IUPAC13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
SMILESOc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1
InChIInChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2
InChIKeyNDFMTPISBHBIKE-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.72
Rot. Bonds

About 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol

13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol (PubChem CID 10359050) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol.

Molecular Properties

Compound Name13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
PubChem CID10359050
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
SMILESOc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1
InChIInChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2
InChIKeyNDFMTPISBHBIKE-UHFFFAOYSA-N
XLogP3.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol with MolForge

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Related Compounds

6-Hydroxy Desloratadine
CID 14637770
5-Hydroxy Desloratadine
CID 14637775
1-[4-(13-Chloro-6-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 10694662
exo-6-[8-[Bis(2-chlorophenyl)-methyl]-8-azabicyclo[3.2.1]oct-3-yl]-3-pyridinol
CID 44248792
3-Hydroxy Loratadine
CID 29918864
8-Chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol
CID 11961794
Desloratadine; pseudoephedrine sulfate
CID 9891141
ethyl (4Z)-4-(13-chloro-6-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,3-dihydropyridine-1-carboxylate
CID 156009968
ethyl (4E)-4-(13-chloro-6-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-2,3-dihydropyridine-1-carboxylate
CID 156019036
1-[4-(13-Chloro-6-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
CID 44267106
2-(4-Chlorophenyl)pyridin-3-ol
CID 15622200
2-(3-Chloro-4-fluorophenyl)pyridin-3-ol
CID 53217884

Frequently Asked Questions

What is the IUPAC name of 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol?
The IUPAC name of 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol (CID 10359050) is 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol.
What is the SMILES notation for 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol?
The canonical SMILES for 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol is Oc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCNCC1.
What is the InChIKey of 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol?
The InChIKey is NDFMTPISBHBIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2.
What are the key properties of 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol?
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol has a molecular weight of 326.83 g/mol, XLogP of 3.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol is sourced from PubChem (CID 10359050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).