1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine

C12H24F2N2 — CID 102869208

IUPAC1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine
SMILESCC(NC1CCN(C(C)(C)C)CC1)C(F)F
InChIInChI=1S/C12H24F2N2/c1-9(11(13)14)15-10-5-7-16(8-6-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyWZJZNWLKCSEHMF-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.49
Rot. Bonds3

About 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine

1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine (PubChem CID 102869208) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine
PubChem CID102869208
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine
SMILESCC(NC1CCN(C(C)(C)C)CC1)C(F)F
InChIInChI=1S/C12H24F2N2/c1-9(11(13)14)15-10-5-7-16(8-6-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3
InChIKeyWZJZNWLKCSEHMF-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-3-en-2-yl-1-tert-butylpiperidin-4-amine
CID 115727975
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
2-[(1-tert-butylpiperidin-4-yl)amino]butanoic acid
CID 115353170
1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
1-tert-butyl-N-[1-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 106757617
N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine
CID 146526516
1-tert-butyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 54866710
N-(3,3-difluorobutan-2-yl)-1-methylpiperidin-4-amine
CID 131048505
1-tert-butyl-N-(1-iodo-2-methylpropan-2-yl)piperidin-4-amine
CID 134415057

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine (CID 102869208) is 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine is CC(NC1CCN(C(C)(C)C)CC1)C(F)F.
What is the InChIKey of 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine?
The InChIKey is WZJZNWLKCSEHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-9(11(13)14)15-10-5-7-16(8-6-10)12(2,3)4/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine?
1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine has a molecular weight of 234.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine is sourced from PubChem (CID 102869208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).