1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride

C24H33ClF3N5S — CID 139346606

IUPAC1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
SMILESCCN(CC)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2.Cl
InChIInChI=1S/C24H32F3N5S.ClH/c1-3-32(4-2)18-5-6-19-21(15-18)33-22-14-16(24(25,26)27)13-20(23(22)30-19)29-17-7-10-31(11-8-17)12-9-28;/h5-6,13-15,17,29-30H,3-4,7-12,28H2,1-2H3;1H
InChIKeyLBTQNHQYOYZVSA-UHFFFAOYSA-N
MW516.08 g/mol
LogP6.02
Rot. Bonds7

About 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride

1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride (PubChem CID 139346606) has the molecular formula C24H33ClF3N5S and a molecular weight of 516.08 g/mol. Its IUPAC name is 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride.

Molecular Properties

Compound Name1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
PubChem CID139346606
Molecular FormulaC24H33ClF3N5S
Molecular Weight516.08 g/mol
Exact Mass515.21
IUPAC Name1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
SMILESCCN(CC)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2.Cl
InChIInChI=1S/C24H32F3N5S.ClH/c1-3-32(4-2)18-5-6-19-21(15-18)33-22-14-16(24(25,26)27)13-20(23(22)30-19)29-17-7-10-31(11-8-17)12-9-28;/h5-6,13-15,17,29-30H,3-4,7-12,28H2,1-2H3;1H
InChIKeyLBTQNHQYOYZVSA-UHFFFAOYSA-N
XLogP6.02
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.08
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride with MolForge

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Related Compounds

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
N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
CID 139346442
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-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
CID 139346605
N-[4-(2-aminoethyl)cyclohexyl]-8-bromo-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 163641073
1-(2-aminoethyl)-N-[6-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)-9H-thioxanthen-1-yl]piperidin-4-amine;hydrochloride
CID 169427042
N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 139346514
N-[6-[4-(2-aminoethyl)piperazin-1-yl]-3-(trifluoromethyl)-9H-thioxanthen-1-yl]piperidin-4-amine
CID 153032172
N'-propyl-N'-[2-[4-[[3-(trifluoromethyl)-9H-thioxanthen-1-yl]amino]piperidin-1-yl]ethyl]ethane-1,2-diamine
CID 159040671

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride?
The IUPAC name of 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride (CID 139346606) is 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride.
What is the SMILES notation for 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride?
The canonical SMILES for 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride is CCN(CC)c1ccc2c(c1)Sc1cc(C(F)(F)F)cc(NC3CCN(CCN)CC3)c1N2.Cl.
What is the InChIKey of 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride?
The InChIKey is LBTQNHQYOYZVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5S.ClH/c1-3-32(4-2)18-5-6-19-21(15-18)33-22-14-16(24(25,26)27)13-20(23(22)30-19)29-17-7-10-31(11-8-17)12-9-28;/h5-6,13-15,17,29-30H,3-4,7-12,28H2,1-2H3;1H.
What are the key properties of 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride?
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride has a molecular weight of 516.08 g/mol, XLogP of 6.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride is sourced from PubChem (CID 139346606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).