4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride

C25H32Cl2N2O — CID 19380977

IUPAC4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)C1CC2(CN2CCC(N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C25H30N2O.2ClH/c1-3-7-23-20(5-1)22-17-25(23,24-8-4-2-6-21(22)24)18-26-11-9-19(10-12-26)27-13-15-28-16-14-27;;/h1-8,19,22H,9-18H2;2*1H
InChIKeyOQTDWLBCRBRLOD-UHFFFAOYSA-N
MW447.45 g/mol
LogP4.46
Rot. Bonds3

About 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride

4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride (PubChem CID 19380977) has the molecular formula C25H32Cl2N2O and a molecular weight of 447.45 g/mol. Its IUPAC name is 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride
PubChem CID19380977
Molecular FormulaC25H32Cl2N2O
Molecular Weight447.45 g/mol
Exact Mass446.19
IUPAC Name4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc2c(c1)C1CC2(CN2CCC(N3CCOCC3)CC2)c2ccccc21
InChIInChI=1S/C25H30N2O.2ClH/c1-3-7-23-20(5-1)22-17-25(23,24-8-4-2-6-21(22)24)18-26-11-9-19(10-12-26)27-13-15-28-16-14-27;;/h1-8,19,22H,9-18H2;2*1H
InChIKeyOQTDWLBCRBRLOD-UHFFFAOYSA-N
XLogP4.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[1-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
CID 19380978
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44295990
3-morpholin-4-yl-N-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)propan-1-amine
CID 44296098
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]-2,6-dimethylmorpholine
CID 19380965
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
CID 19381018
9-gamma-Morpholinopropyl-9,10-dihydro-9,10-methanoanthracene
CID 13069076
4-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)morpholine
CID 13069100
4-[2-(1-Tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethyl]morpholine
CID 13069107
1-(9,10-Dihydro-9,10-methanoanthracen-9-ylcarbonyl)-4-(4-morpholinyl)piperidine
CID 19380970
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
[(9,10-Dihydro-9,10-methanoanthracen-9-ylmethyl)-4-piperidyl]isocyanate hydrochloride
CID 19381059
2,6-Dimethyl-4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
CID 19381096

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride?
The IUPAC name of 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride (CID 19380977) is 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride?
The canonical SMILES for 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride is Cl.Cl.c1ccc2c(c1)C1CC2(CN2CCC(N3CCOCC3)CC2)c2ccccc21.
What is the InChIKey of 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride?
The InChIKey is OQTDWLBCRBRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O.2ClH/c1-3-7-23-20(5-1)22-17-25(23,24-8-4-2-6-21(22)24)18-26-11-9-19(10-12-26)27-13-15-28-16-14-27;;/h1-8,19,22H,9-18H2;2*1H.
What are the key properties of 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride?
4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride has a molecular weight of 447.45 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine;dihydrochloride is sourced from PubChem (CID 19380977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).