10-[(1-methylpiperidin-3-yl)methyl]phenothiazine

C19H22N2S — CID 6075

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IUPAC10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
SMILESCN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyCBHCDHNUZWWAPP-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.63
Rot. Bonds2

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

10-[(1-methylpiperidin-3-yl)methyl]phenothiazine (PubChem CID 6075) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine.

Molecular Properties

Compound Name10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
PubChem CID6075
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
SMILESCN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
InChIInChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
InChIKeyCBHCDHNUZWWAPP-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

Trifluoperazine
CID 5566
Promethazine
CID 4927
(+-)-Trimeprazine
CID 5574
Mesoridazine
CID 4078
Promazine
CID 4926
Thioridazine
CID 5452
Triflupromazine
CID 5568
Thiethylperazine
CID 5440
Promethazine Hydrochloride
CID 6014
Thioridazine Hydrochloride
CID 66062
Mequitazine
CID 4066
Perazine
CID 4744

Frequently Asked Questions

What is the IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The IUPAC name of 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine (CID 6075) is 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine.
What is the SMILES notation for 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The canonical SMILES for 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine is CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1.
What is the InChIKey of 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
The InChIKey is CBHCDHNUZWWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3.
What are the key properties of 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine?
10-[(1-methylpiperidin-3-yl)methyl]phenothiazine has a molecular weight of 310.47 g/mol, XLogP of 4.63, 2 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]phenothiazine is sourced from PubChem (CID 6075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).