N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine

C20H23F3N4S — CID 139346442

IUPACN-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
SMILESNCCN1CCC(Nc2cc3c(c(C(F)(F)F)c2)Nc2ccccc2S3)CC1
InChIInChI=1S/C20H23F3N4S/c21-20(22,23)15-11-14(25-13-5-8-27(9-6-13)10-7-24)12-18-19(15)26-16-3-1-2-4-17(16)28-18/h1-4,11-13,25-26H,5-10,24H2
InChIKeyDRJVSXOWUCNLIX-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.75
Rot. Bonds4

About N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine

N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine (PubChem CID 139346442) has the molecular formula C20H23F3N4S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
PubChem CID139346442
Molecular FormulaC20H23F3N4S
Molecular Weight408.49 g/mol
Exact Mass408.16
IUPAC NameN-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
SMILESNCCN1CCC(Nc2cc3c(c(C(F)(F)F)c2)Nc2ccccc2S3)CC1
InChIInChI=1S/C20H23F3N4S/c21-20(22,23)15-11-14(25-13-5-8-27(9-6-13)10-7-24)12-18-19(15)26-16-3-1-2-4-17(16)28-18/h1-4,11-13,25-26H,5-10,24H2
InChIKeyDRJVSXOWUCNLIX-UHFFFAOYSA-N
XLogP4.75
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
CID 139346605
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride
CID 139346604
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carbaldehyde;methanamine
CID 145422295
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
CID 139346606
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N-ethyl-7-N-methyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine
CID 139346547
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346560
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346721
1-(2-aminoethyl)-N-(3-fluorophenyl)piperidin-4-amine
CID 117027556
N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 139346514
N'-propyl-N'-[2-[4-[[3-(trifluoromethyl)-9H-thioxanthen-1-yl]amino]piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 159040671
1-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(trifluoromethyl)-10H-phenothiazine
CID 166761808
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
CID 117027563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine?
The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine (CID 139346442) is N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine.
What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine?
The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine is NCCN1CCC(Nc2cc3c(c(C(F)(F)F)c2)Nc2ccccc2S3)CC1.
What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine?
The InChIKey is DRJVSXOWUCNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4S/c21-20(22,23)15-11-14(25-13-5-8-27(9-6-13)10-7-24)12-18-19(15)26-16-3-1-2-4-17(16)28-18/h1-4,11-13,25-26H,5-10,24H2.
What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine?
N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine has a molecular weight of 408.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine is sourced from PubChem (CID 139346442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).