4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride

C25H31Cl3N2O — CID 19381017

IUPAC4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21
InChIInChI=1S/C25H29ClN2O.2ClH/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28;;/h1-6,15,19,22H,7-14,16-17H2;2*1H
InChIKeyXYTUJHLUBOYIND-UHFFFAOYSA-N
MW481.90 g/mol
LogP5.12
Rot. Bonds3

About 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride

4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride (PubChem CID 19381017) has the molecular formula C25H31Cl3N2O and a molecular weight of 481.90 g/mol. Its IUPAC name is 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride
PubChem CID19381017
Molecular FormulaC25H31Cl3N2O
Molecular Weight481.90 g/mol
Exact Mass480.15
IUPAC Name4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21
InChIInChI=1S/C25H29ClN2O.2ClH/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28;;/h1-6,15,19,22H,7-14,16-17H2;2*1H
InChIKeyXYTUJHLUBOYIND-UHFFFAOYSA-N
XLogP5.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.90
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride 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 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride (CID 19381017) is 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride is Cl.Cl.Clc1ccc2c(c1)C1(CN3CCC(N4CCOCC4)CC3)CC2c2ccccc21.
What is the InChIKey of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride?
The InChIKey is XYTUJHLUBOYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O.2ClH/c26-18-5-6-21-22-16-25(24(21)15-18,23-4-2-1-3-20(22)23)17-27-9-7-19(8-10-27)28-11-13-29-14-12-28;;/h1-6,15,19,22H,7-14,16-17H2;2*1H.
What are the key properties of 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride?
4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride has a molecular weight of 481.90 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]morpholine;dihydrochloride is sourced from PubChem (CID 19381017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).