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

C14H25F3N2O — CID 83992518

IUPAC2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC1CCC1N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-10-2-3-13(10)19-7-11(4-5-20)6-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3
InChIKeyCENTVMDHHWFWRL-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.01
Rot. Bonds5

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

2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992518) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992518
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCC1CCC1N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O/c1-10-2-3-13(10)19-7-11(4-5-20)6-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3
InChIKeyCENTVMDHHWFWRL-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-[5-(2,2-dimethylpropylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83995289
1-cyclopropyl-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992454
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992721
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
5-butyl-1-cyclopentyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992442
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
5-ethyl-1-(3-methylcyclobutyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992503
N-[1-(2-methylcyclobutyl)-5-propylpiperidin-3-yl]acetamide
CID 112541963
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992518) is 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CC1CCC1N1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is CENTVMDHHWFWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10-2-3-13(10)19-7-11(4-5-20)6-12(8-19)18-9-14(15,16)17/h10-13,18,20H,2-9H2,1H3.
What are the key properties of 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 294.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).