4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine

C11H21F3N2O — CID 63971489

IUPAC4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
SMILESCOCC1CCN(C(C(C)N)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-5-3-9(4-6-16)7-17-2/h8-10H,3-7,15H2,1-2H3
InChIKeyPEPMQAKSBUKOCQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.62
Rot. Bonds4

About 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine

4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine (PubChem CID 63971489) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
PubChem CID63971489
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
SMILESCOCC1CCN(C(C(C)N)C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-5-3-9(4-6-16)7-17-2/h8-10H,3-7,15H2,1-2H3
InChIKeyPEPMQAKSBUKOCQ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine (CID 63971489) is 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine is COCC1CCN(C(C(C)N)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
The InChIKey is PEPMQAKSBUKOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-8(15)10(11(12,13)14)16-5-3-9(4-6-16)7-17-2/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine?
4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 63971489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).