1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol

C18H27F3N2O4 — CID 126807739

IUPAC1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCOc1cc(NC2CCN(CC(O)COCC(F)(F)F)CC2)cc(OC)c1
InChIInChI=1S/C18H27F3N2O4/c1-25-16-7-14(8-17(9-16)26-2)22-13-3-5-23(6-4-13)10-15(24)11-27-12-18(19,20)21/h7-9,13,15,22,24H,3-6,10-12H2,1-2H3
InChIKeyBIABJOYFBKDKEC-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.52
Rot. Bonds9

About 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 126807739) has the molecular formula C18H27F3N2O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID126807739
Molecular FormulaC18H27F3N2O4
Molecular Weight392.42 g/mol
Exact Mass392.19
IUPAC Name1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCOc1cc(NC2CCN(CC(O)COCC(F)(F)F)CC2)cc(OC)c1
InChIInChI=1S/C18H27F3N2O4/c1-25-16-7-14(8-17(9-16)26-2)22-13-3-5-23(6-4-13)10-15(24)11-27-12-18(19,20)21/h7-9,13,15,22,24H,3-6,10-12H2,1-2H3
InChIKeyBIABJOYFBKDKEC-UHFFFAOYSA-N
XLogP2.52
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103936643
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254
1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3846983
2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethoxyphenyl)ethanol
CID 103210091
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
(2R)-1-[4-(3-methylanilino)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 97072323
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 154802880

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 126807739) is 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol is COc1cc(NC2CCN(CC(O)COCC(F)(F)F)CC2)cc(OC)c1.
What is the InChIKey of 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is BIABJOYFBKDKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O4/c1-25-16-7-14(8-17(9-16)26-2)22-13-3-5-23(6-4-13)10-15(24)11-27-12-18(19,20)21/h7-9,13,15,22,24H,3-6,10-12H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 392.42 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 126807739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).