N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine

C12H21F3N2O — CID 66245986

IUPACN-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-11-8-18-7-9(11)6-17-4-2-10(3-5-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyRYZWQAKTIUJGMJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.50
Rot. Bonds3

About N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine

N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (PubChem CID 66245986) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
PubChem CID66245986
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-11-8-18-7-9(11)6-17-4-2-10(3-5-17)12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyRYZWQAKTIUJGMJ-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (CID 66245986) is N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is CNC1COCC1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The InChIKey is RYZWQAKTIUJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-11-8-18-7-9(11)6-17-4-2-10(3-5-17)12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine has a molecular weight of 266.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66245986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).