2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol

C14H27F3N2O — CID 106809681

IUPAC2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
SMILESCCC(CO)(CCCN1CCC(C(F)(F)F)CC1)NC
InChIInChI=1S/C14H27F3N2O/c1-3-13(11-20,18-2)7-4-8-19-9-5-12(6-10-19)14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyWGSUZKMKULAISP-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol

2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol (PubChem CID 106809681) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
PubChem CID106809681
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol
SMILESCCC(CO)(CCCN1CCC(C(F)(F)F)CC1)NC
InChIInChI=1S/C14H27F3N2O/c1-3-13(11-20,18-2)7-4-8-19-9-5-12(6-10-19)14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyWGSUZKMKULAISP-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-pyrrolidin-1-ylpentan-1-ol
CID 106809047
2-ethyl-5-(4-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809648
5-(4,4-diethylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106808882
2-ethyl-5-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)pentan-1-ol
CID 106808728
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
2-ethyl-2-(methylamino)-5-(3,3,4-trimethylpiperazin-1-yl)pentan-1-ol
CID 106808752
2-(cyclopropylamino)-2-ethyl-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 106808663
2-ethyl-5-(2-ethylazepan-1-yl)-2-(methylamino)pentan-1-ol
CID 106809858
5-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809445
1-(4-methylpentyl)-4-(trifluoromethyl)piperidine
CID 142528699
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809483
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol (CID 106809681) is 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol is CCC(CO)(CCCN1CCC(C(F)(F)F)CC1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol?
The InChIKey is WGSUZKMKULAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-13(11-20,18-2)7-4-8-19-9-5-12(6-10-19)14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol?
2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 106809681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).