1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

C19H25F7N2O5 — CID 154886387

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESCN(CCN1CCC(O)CC1)Cc1ccc(F)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23FN2O.2C2HF3O2/c1-17(12-13-2-4-14(16)5-3-13)10-11-18-8-6-15(19)7-9-18;2*3-2(4,5)1(6)7/h2-5,15,19H,6-12H2,1H3;2*(H,6,7)
InChIKeyFRJNMTBGLNGANX-UHFFFAOYSA-N
MW494.40 g/mol
LogP2.98
Rot. Bonds5

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154886387) has the molecular formula C19H25F7N2O5 and a molecular weight of 494.40 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID154886387
Molecular FormulaC19H25F7N2O5
Molecular Weight494.40 g/mol
Exact Mass494.17
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESCN(CCN1CCC(O)CC1)Cc1ccc(F)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23FN2O.2C2HF3O2/c1-17(12-13-2-4-14(16)5-3-13)10-11-18-8-6-15(19)7-9-18;2*3-2(4,5)1(6)7/h2-5,15,19H,6-12H2,1H3;2*(H,6,7)
InChIKeyFRJNMTBGLNGANX-UHFFFAOYSA-N
XLogP2.98
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.40
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

Ethyl 4-(2,4-difluorobenzyl)-1-piperazinecarboxylate oxalate
CID 2846018
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
US10093635, Example 25
CID 134496358
US10093635, Example 48
CID 134496427
1-[(2,4-Difluorophenyl)methyl]piperidin-4-ol
CID 751883
3-[4-[1-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 53559965
1-(2,6-Difluorobenzyl)piperidin-4-ol
CID 2845425
1-(3-Fluorobenzyl)piperidin-4-ol
CID 3802318
1-(2-Fluoro-benzyl)-piperidin-4-ol
CID 10242192
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(4-methylphenyl)methyl]piperazine-1-carboxylate
CID 71657289
1-(4-Benzylpiperazino)-2,2,2-trifluoroethanol
CID 11346358
5-(4-Benzhydrylpiperazino)-1,1,1,2,2-pentafluoro-3-pentanol
CID 2766056

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (CID 154886387) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is CN(CCN1CCC(O)CC1)Cc1ccc(F)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FRJNMTBGLNGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O.2C2HF3O2/c1-17(12-13-2-4-14(16)5-3-13)10-11-18-8-6-15(19)7-9-18;2*3-2(4,5)1(6)7/h2-5,15,19H,6-12H2,1H3;2*(H,6,7).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 494.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154886387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).