3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine

C11H22F2N2 — CID 59603412

IUPAC3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(N(C)C)C(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15/h9-10H,5-8H2,1-4H3
InChIKeyBETACLCWIXEHAP-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.91
Rot. Bonds3

About 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine

3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 59603412) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
PubChem CID59603412
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(N(C)C)C(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15/h9-10H,5-8H2,1-4H3
InChIKeyBETACLCWIXEHAP-UHFFFAOYSA-N
XLogP1.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine (CID 59603412) is 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(N(C)C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is BETACLCWIXEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9(2)7-15-6-5-10(14(3)4)11(12,13)8-15/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine?
3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 220.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N-dimethyl-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 59603412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).