10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile

C21H23N3OS — CID 4747

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IUPAC10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
InChIInChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
InChIKeyLUALIOATIOESLM-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.01
Rot. Bonds4

About 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile

10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile (PubChem CID 4747) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
PubChem CID4747
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
SMILESN#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
InChIInChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
InChIKeyLUALIOATIOESLM-UHFFFAOYSA-N
XLogP4.01
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fluphenazine
CID 3372
Cyamemazine
CID 62865
Fluphenazine Hydrochloride
CID 67356
Prolixin
CID 6602611
1-(4-methylpiperidin-1-yl)-3-(10H-phenothiazin-10-yl)propan-2-ol
CID 2896762
2-[4-[3-(10H-phenothiazin-2-yl)propyl]piperazin-1-yl]ethanol;dihydrochloride
CID 45262890
5Lft2RE7R3
CID 12323719
10-{2-hydroxy-3-[N,N-bis-(2-hydroxyethyl)amino]propyl}-2-trifluoromethylphenothiazine
CID 129884093
4-Piperidinol, 1-(3-phenothiazin-10-ylpropyl)-
CID 205101
Ethanol, 2-((1-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)oxy)-, hydrochloride (1:1)
CID 218088
2-Butanol, 3-((1-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)oxy)-
CID 218093
Ethanol, 2-((1-(3-(2-methyl-10H-phenothiazin-10-yl)propyl)-4-piperidinyl)oxy)-, monohydrochloride
CID 218098

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile?
The IUPAC name of 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile (CID 4747) is 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile?
The canonical SMILES for 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile is N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2.
What is the InChIKey of 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile?
The InChIKey is LUALIOATIOESLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2.
What are the key properties of 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile?
10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile has a molecular weight of 365.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile is sourced from PubChem (CID 4747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).