1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol

C18H25F3N2O2 — CID 11750799

IUPAC1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
SMILESNC1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCC2)CC1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)25-15-4-2-13(3-5-15)16(17(24)8-1-9-17)12-23-10-6-14(22)7-11-23/h2-5,14,16,24H,1,6-12,22H2
InChIKeyRQNUHONIICWYKY-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.01
Rot. Bonds5

About 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol

1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol (PubChem CID 11750799) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
PubChem CID11750799
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol
SMILESNC1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCC2)CC1
InChIInChI=1S/C18H25F3N2O2/c19-18(20,21)25-15-4-2-13(3-5-15)16(17(24)8-1-9-17)12-23-10-6-14(22)7-11-23/h2-5,14,16,24H,1,6-12,22H2
InChIKeyRQNUHONIICWYKY-UHFFFAOYSA-N
XLogP3.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-piperazin-1-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 11176215
1-[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853648
1-[(1S)-2-[4-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol;dihydrochloride
CID 68853169
1-[2-piperazin-1-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]cyclobutan-1-ol;dihydrochloride
CID 68852208
1-[2-(4-aminopiperidin-1-yl)-1-naphthalen-1-ylethyl]cyclobutan-1-ol;dihydrochloride
CID 68854522
1-[2-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 59701268
1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexan-1-ol
CID 59701297
4-[2-(1-hydroxycyclohexyl)-2-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethyl]piperazine-1-carboxylic acid;dihydrochloride
CID 162309702
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937
(1S,2R)-2-amino-3-pyrrolidin-1-yl-1-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 163771955
1-[2-[4-(dimethylamino)piperidin-1-yl]-1-(6-methoxynaphthalen-2-yl)ethyl]cyclohexan-1-ol
CID 11418428
4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-(trifluoromethoxy)phenol
CID 59701186

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol (CID 11750799) is 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol is NC1CCN(CC(c2ccc(OC(F)(F)F)cc2)C2(O)CCC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol?
The InChIKey is RQNUHONIICWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c19-18(20,21)25-15-4-2-13(3-5-15)16(17(24)8-1-9-17)12-23-10-6-14(22)7-11-23/h2-5,14,16,24H,1,6-12,22H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol?
1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol has a molecular weight of 358.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 11750799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).