2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C48H61F8N11 — CID 159842639

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCn1ccnc1C(CN)N1CCC(F)(F)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22F3N3.C18H21F3N4.C11H18F2N4/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14;19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15;1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h1-7,13,15,17H,8-12,23H2;1-7,13,16H,8-12,22H2;4,7,9H,2-3,5-6,8,14H2,1H3
InChIKeyNOWKIDLUINQUNP-UHFFFAOYSA-N
MW944.08 g/mol
LogP8.05
Rot. Bonds11

About 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 159842639) has the molecular formula C48H61F8N11 and a molecular weight of 944.08 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID159842639
Molecular FormulaC48H61F8N11
Molecular Weight944.08 g/mol
Exact Mass943.50
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCn1ccnc1C(CN)N1CCC(F)(F)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22F3N3.C18H21F3N4.C11H18F2N4/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14;19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15;1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h1-7,13,15,17H,8-12,23H2;1-7,13,16H,8-12,22H2;4,7,9H,2-3,5-6,8,14H2,1H3
InChIKeyNOWKIDLUINQUNP-UHFFFAOYSA-N
XLogP8.05
TPSA134.62 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500944.08
LogP ≤ 58.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine with MolForge

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Related Compounds

2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 58227935
2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 58228272
(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 58227969
5-[1-(4-phenylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 69324707
2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 66119616
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
(2Z)-2-(1-chloroethenyl)-N-[2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]penta-2,4-dienamide
CID 144603710
2-(6-chloro-7-methylcyclohepta-1,3-dien-1-yl)-N-[2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 123217957
2-(3-phenylpyrrolidin-1-yl)-2-pyridin-2-ylethanamine
CID 62132461
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 159842639) is 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is Cn1ccnc1C(CN)N1CCC(F)(F)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCC(c2ccccc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is NOWKIDLUINQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3.C18H21F3N4.C11H18F2N4/c20-19(21,22)18-7-6-16(13-24-18)17(12-23)25-10-8-15(9-11-25)14-4-2-1-3-5-14;19-18(20,21)17-7-6-14(13-23-17)16(12-22)25-10-8-24(9-11-25)15-4-2-1-3-5-15;1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h1-7,13,15,17H,8-12,23H2;1-7,13,16H,8-12,22H2;4,7,9H,2-3,5-6,8,14H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 944.08 g/mol, XLogP of 8.05, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine;2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-(4-phenylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 159842639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).