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

C11H19F3N2O — CID 66238147

IUPAC4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h8-10H,1-7,15H2
InChIKeyRFCVHWBCQJKDOQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.23
Rot. Bonds2

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

4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (PubChem CID 66238147) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
PubChem CID66238147
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine
SMILESNC1COCC1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h8-10H,1-7,15H2
InChIKeyRFCVHWBCQJKDOQ-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine (CID 66238147) is 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is NC1COCC1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
The InChIKey is RFCVHWBCQJKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)9-1-3-16(4-2-9)5-8-6-17-7-10(8)15/h8-10H,1-7,15H2.
What are the key properties of 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine?
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine has a molecular weight of 252.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66238147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).