2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine

C21H26N2OS — CID 53298655

IUPAC2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
SMILESCOc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
InChIKeyQOJDAWZHQLNKDR-INIZCTEOSA-N
MW354.52 g/mol
LogP5.17
Rot. Bonds4

About 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine

2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine (PubChem CID 53298655) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine.

Molecular Properties

Compound Name2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
PubChem CID53298655
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
SMILESCOc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2
InChIInChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
InChIKeyQOJDAWZHQLNKDR-INIZCTEOSA-N
XLogP5.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine?
The IUPAC name of 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine (CID 53298655) is 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine.
What is the SMILES notation for 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine?
The canonical SMILES for 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine is COc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2.
What is the InChIKey of 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine?
The InChIKey is QOJDAWZHQLNKDR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine?
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine has a molecular weight of 354.52 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine is sourced from PubChem (CID 53298655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).