1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C14H25F3N2O — CID 83992119

IUPAC1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-2-19-7-10(6-13(20)11-3-4-11)5-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3
InChIKeyKBLWCMLZJURDCP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.01
Rot. Bonds6

About 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992119) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992119
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-2-19-7-10(6-13(20)11-3-4-11)5-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3
InChIKeyKBLWCMLZJURDCP-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
CID 163637378
2-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992066
3-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
2-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992105
3-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992112
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992119) is 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCN1CC(CC(O)C2CC2)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is KBLWCMLZJURDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-19-7-10(6-13(20)11-3-4-11)5-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).