1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol

C14H25F3N2O2 — CID 86816932

IUPAC1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H25F3N2O2/c1-11(18-10-12(20)14(15,16)17)13(4-2-3-5-13)19-6-8-21-9-7-19/h11-12,18,20H,2-10H2,1H3
InChIKeyZSEDJMTVUBBCSM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.53
Rot. Bonds5

About 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol (PubChem CID 86816932) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol
PubChem CID86816932
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C14H25F3N2O2/c1-11(18-10-12(20)14(15,16)17)13(4-2-3-5-13)19-6-8-21-9-7-19/h11-12,18,20H,2-10H2,1H3
InChIKeyZSEDJMTVUBBCSM-UHFFFAOYSA-N
XLogP1.53
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-Trifluoro-3-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63900071
3-[2-(Aminomethyl)-3-methylpiperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 64021732
9-[2-(2,2,2-Trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64832666
8-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64838686
8-Propyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64839211
3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64841022
8-Ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64841406
8,8-Dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64842278
6-[2-(2,2,2-Trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64845807
8-Methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64845925
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64846529
8-Ethyl-8-methyl-9-[2-(2,2,2-trifluoroethoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64875860

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol (CID 86816932) is 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol is CC(NCC(O)C(F)(F)F)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol?
The InChIKey is ZSEDJMTVUBBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-11(18-10-12(20)14(15,16)17)13(4-2-3-5-13)19-6-8-21-9-7-19/h11-12,18,20H,2-10H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol has a molecular weight of 310.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(1-morpholin-4-ylcyclopentyl)ethylamino]propan-2-ol is sourced from PubChem (CID 86816932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).