Hepzidine

C21H25NO — CID 70593

IUPAC1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
SMILESCN1CCC(CC1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChIInChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3
InChIKeyMNIZCABHARMLFF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.20
Rot. Bonds2

About Hepzidine

Hepzidine (PubChem CID 70593) has the molecular formula C21H25NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine.

Molecular Properties

Compound NameHepzidine
PubChem CID70593
Molecular FormulaC21H25NO
Molecular Weight307.40 g/mol
Exact Mass307.19
IUPAC Name1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine
SMILESCN1CCC(CC1)OC2C3=CC=CC=C3CCC4=CC=CC=C24
InChIInChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3
InChIKeyMNIZCABHARMLFF-UHFFFAOYSA-N
XLogP4.20
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity352

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(-2-Phenethyl)-4-phenyl-4-acetoxypiperidine
CID 60977
Blarcamesine
CID 9882189
Deptropine
CID 203911
Ethybenztropine
CID 20055089
8-Azabicyclo[3.2.1]octane, 3-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy]-8-methyl-, endo-
CID 16576
(3-Exo)-3-(10,11-dihydro-5H-dibenzo(A,D)(7)annulen-5-yloxy)-8,8-dimethyl-8-azoniabicyclo(3.2.1)octane
CID 21124461
3-[Bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 3929516

Frequently Asked Questions

What is the IUPAC name of Hepzidine?
The IUPAC name of Hepzidine (CID 70593) is 1-methyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperidine.
What is the SMILES notation for Hepzidine?
The canonical SMILES for Hepzidine is CN1CCC(CC1)OC2C3=CC=CC=C3CCC4=CC=CC=C24.
What is the InChIKey of Hepzidine?
The InChIKey is MNIZCABHARMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22-14-12-18(13-15-22)23-21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-9,18,21H,10-15H2,1H3.
What are the key properties of Hepzidine?
Hepzidine has a molecular weight of 307.40 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Hepzidine is sourced from PubChem (CID 70593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).