(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine

C10H20F2N2 — CID 134355600

IUPAC(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-8(2)9(13)7-14-5-3-10(11,12)4-6-14/h8-9H,3-7,13H2,1-2H3/t9-/m1/s1
InChIKeySNENEZGDRMOEST-SECBINFHSA-N
MW206.28 g/mol
LogP1.70
Rot. Bonds3

About (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine

(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine (PubChem CID 134355600) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine
PubChem CID134355600
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCC(F)(F)CC1
InChIInChI=1S/C10H20F2N2/c1-8(2)9(13)7-14-5-3-10(11,12)4-6-14/h8-9H,3-7,13H2,1-2H3/t9-/m1/s1
InChIKeySNENEZGDRMOEST-SECBINFHSA-N
XLogP1.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine (CID 134355600) is (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine is CC(C)[C@H](N)CN1CCC(F)(F)CC1.
What is the InChIKey of (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine?
The InChIKey is SNENEZGDRMOEST-SECBINFHSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8(2)9(13)7-14-5-3-10(11,12)4-6-14/h8-9H,3-7,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine?
(2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine has a molecular weight of 206.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,4-difluoropiperidin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 134355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).