2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

C22H29N3OS — CID 67474879

IUPAC2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C22H29N3OS/c1-18-7-8-22-20(17-18)25(19-5-2-3-6-21(19)27-22)10-4-9-23-11-13-24(14-12-23)15-16-26/h2-3,5-8,17,26H,4,9-16H2,1H3
InChIKeyZQDFKABURZICMK-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol (PubChem CID 67474879) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
PubChem CID67474879
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C22H29N3OS/c1-18-7-8-22-20(17-18)25(19-5-2-3-6-21(19)27-22)10-4-9-23-11-13-24(14-12-23)15-16-26/h2-3,5-8,17,26H,4,9-16H2,1H3
InChIKeyZQDFKABURZICMK-UHFFFAOYSA-N
XLogP3.60
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol (CID 67474879) is 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol is Cc1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.
What is the InChIKey of 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol?
The InChIKey is ZQDFKABURZICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-18-7-8-22-20(17-18)25(19-5-2-3-6-21(19)27-22)10-4-9-23-11-13-24(14-12-23)15-16-26/h2-3,5-8,17,26H,4,9-16H2,1H3.
What are the key properties of 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol?
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol has a molecular weight of 383.56 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67474879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).