10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine

C22H28N2S — CID 86303258

IUPAC10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
SMILESCCCc1ccc2c(c1)N(CC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C22H28N2S/c1-3-7-17-11-12-22-20(14-17)24(16-18-8-6-13-23(2)15-18)19-9-4-5-10-21(19)25-22/h4-5,9-12,14,18H,3,6-8,13,15-16H2,1-2H3
InChIKeyYESHEQGAKCNADP-UHFFFAOYSA-N
MW352.55 g/mol
LogP5.58
Rot. Bonds4

About 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine

10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine (PubChem CID 86303258) has the molecular formula C22H28N2S and a molecular weight of 352.55 g/mol. Its IUPAC name is 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine.

Molecular Properties

Compound Name10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
PubChem CID86303258
Molecular FormulaC22H28N2S
Molecular Weight352.55 g/mol
Exact Mass352.20
IUPAC Name10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine
SMILESCCCc1ccc2c(c1)N(CC1CCCN(C)C1)c1ccccc1S2
InChIInChI=1S/C22H28N2S/c1-3-7-17-11-12-22-20(14-17)24(16-18-8-6-13-23(2)15-18)19-9-4-5-10-21(19)25-22/h4-5,9-12,14,18H,3,6-8,13,15-16H2,1-2H3
InChIKeyYESHEQGAKCNADP-UHFFFAOYSA-N
XLogP5.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine?
The IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine (CID 86303258) is 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine.
What is the SMILES notation for 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine?
The canonical SMILES for 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine is CCCc1ccc2c(c1)N(CC1CCCN(C)C1)c1ccccc1S2.
What is the InChIKey of 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine?
The InChIKey is YESHEQGAKCNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2S/c1-3-7-17-11-12-22-20(14-17)24(16-18-8-6-13-23(2)15-18)19-9-4-5-10-21(19)25-22/h4-5,9-12,14,18H,3,6-8,13,15-16H2,1-2H3.
What are the key properties of 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine?
10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine has a molecular weight of 352.55 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-methylpiperidin-3-yl)methyl]-2-propylphenothiazine is sourced from PubChem (CID 86303258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).