1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine

C19H23N3S — CID 90320836

IUPAC1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
SMILESCCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3
InChIKeyCOWYIQNLXUNTRU-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.18
Rot. Bonds2

About 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine

1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine (PubChem CID 90320836) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
PubChem CID90320836
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine
SMILESCCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2
InChIInChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3
InChIKeyCOWYIQNLXUNTRU-UHFFFAOYSA-N
XLogP4.18
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(9-ethyl-1-methyl-7-piperazin-1-yl-10H-phenothiazin-3-yl)morpholine
CID 67468174
1-butyl-3,7-bis(4-methylpiperazin-1-yl)-10H-phenothiazine
CID 90281838
4-[7-(1,4-diazepan-1-yl)-9-ethyl-1-methyl-10H-phenothiazin-3-yl]morpholine;hydrochloride
CID 173481521
N,N-bis(2-methoxyethyl)-7-piperazin-1-yl-2-(trifluoromethyl)-10H-phenothiazin-3-amine
CID 66562547
3,7-bis(4-methylpiperazin-1-yl)-1-propan-2-yl-10H-phenothiazine
CID 90281862
1-(2-ethyl-4,6-dimethylphenyl)piperazine
CID 59119296
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
4-(1-fluoro-7-morpholin-4-yl-10H-phenothiazin-3-yl)morpholine;hydrochloride
CID 173481523
2,2-diethyl-7-piperazin-1-yl-4H-1,4-benzoxazin-3-one
CID 82177387
(2-methyl-5-piperazin-1-ylphenyl)methanol
CID 84779190
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The IUPAC name of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine (CID 90320836) is 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine.
What is the SMILES notation for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The canonical SMILES for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine is CCc1cc(C)cc2c1Nc1ccc(N3CCNCC3)cc1S2.
What is the InChIKey of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
The InChIKey is COWYIQNLXUNTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c1-3-14-10-13(2)11-18-19(14)21-16-5-4-15(12-17(16)23-18)22-8-6-20-7-9-22/h4-5,10-12,20-21H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine?
1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine has a molecular weight of 325.48 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-piperazin-1-yl-10H-phenothiazine is sourced from PubChem (CID 90320836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).