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

C27H34N2O — CID 19381096

IUPAC2,6-dimethyl-4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(CC34CC(c5ccccc53)c3ccccc34)CC2)CC(C)O1
InChIInChI=1S/C27H34N2O/c1-19-16-29(17-20(2)30-19)21-11-13-28(14-12-21)18-27-15-24(22-7-3-5-9-25(22)27)23-8-4-6-10-26(23)27/h3-10,19-21,24H,11-18H2,1-2H3
InChIKeyKVQGYRUPADODEC-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.40
Rot. Bonds3

About 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

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 (PubChem CID 19381096) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
PubChem CID19381096
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name2,6-dimethyl-4-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]morpholine
SMILESCC1CN(C2CCN(CC34CC(c5ccccc53)c3ccccc34)CC2)CC(C)O1
InChIInChI=1S/C27H34N2O/c1-19-16-29(17-20(2)30-19)21-11-13-28(14-12-21)18-27-15-24(22-7-3-5-9-25(22)27)23-8-4-6-10-26(23)27/h3-10,19-21,24H,11-18H2,1-2H3
InChIKeyKVQGYRUPADODEC-UHFFFAOYSA-N
XLogP4.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
1'-(2-Morpholin-4-ylpropyl)-2,3-dihydrospiro[indene-1,4'-piperidine]
CID 91839109
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
1-(9,10-Dihydro-9,10-methanoanthracen-9-ylmethyl)-4-(4-morpholinyl)piperidine dihydrochloride
CID 19380977
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN(C2CCN(CC34CC(c5ccccc53)c3ccccc34)CC2)CC(C)O1.
What is the InChIKey of 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?
The InChIKey is KVQGYRUPADODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-19-16-29(17-20(2)30-19)21-11-13-28(14-12-21)18-27-15-24(22-7-3-5-9-25(22)27)23-8-4-6-10-26(23)27/h3-10,19-21,24H,11-18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 402.58 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 19381096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).