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

C21H25ClN2O2 — CID 18382722

IUPAC13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
SMILESCOc1cnc2c(c1)CCc1cc(Cl)ccc1C2(O)C1CCN(C)CC1
InChIInChI=1S/C21H25ClN2O2/c1-24-9-7-16(8-10-24)21(25)19-6-5-17(22)11-14(19)3-4-15-12-18(26-2)13-23-20(15)21/h5-6,11-13,16,25H,3-4,7-10H2,1-2H3
InChIKeyRMNIHJQGNNEPGE-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.42
Rot. Bonds2

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

13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol (PubChem CID 18382722) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol.

Molecular Properties

Compound Name13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
PubChem CID18382722
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
SMILESCOc1cnc2c(c1)CCc1cc(Cl)ccc1C2(O)C1CCN(C)CC1
InChIInChI=1S/C21H25ClN2O2/c1-24-9-7-16(8-10-24)21(25)19-6-5-17(22)11-14(19)3-4-15-12-18(26-2)13-23-20(15)21/h5-6,11-13,16,25H,3-4,7-10H2,1-2H3
InChIKeyRMNIHJQGNNEPGE-UHFFFAOYSA-N
XLogP3.42
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol?
The IUPAC name of 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol (CID 18382722) is 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol.
What is the SMILES notation for 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol?
The canonical SMILES for 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol is COc1cnc2c(c1)CCc1cc(Cl)ccc1C2(O)C1CCN(C)CC1.
What is the InChIKey of 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol?
The InChIKey is RMNIHJQGNNEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-24-9-7-16(8-10-24)21(25)19-6-5-17(22)11-14(19)3-4-15-12-18(26-2)13-23-20(15)21/h5-6,11-13,16,25H,3-4,7-10H2,1-2H3.
What are the key properties of 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol?
13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol has a molecular weight of 372.90 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-6-methoxy-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol is sourced from PubChem (CID 18382722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).