1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine

C12H24F2N2 — CID 138473303

IUPAC1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)CN1CCCC(F)(F)C1
InChIInChI=1S/C12H24F2N2/c1-10(2)7-11(3,15)8-16-6-4-5-12(13,14)9-16/h10H,4-9,15H2,1-3H3
InChIKeyVPRZBDNRMGCBRM-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.48
Rot. Bonds4

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

1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine (PubChem CID 138473303) has the molecular formula C12H24F2N2 and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine
PubChem CID138473303
Molecular FormulaC12H24F2N2
Molecular Weight234.33 g/mol
Exact Mass234.19
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)CN1CCCC(F)(F)C1
InChIInChI=1S/C12H24F2N2/c1-10(2)7-11(3,15)8-16-6-4-5-12(13,14)9-16/h10H,4-9,15H2,1-3H3
InChIKeyVPRZBDNRMGCBRM-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine (CID 138473303) is 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)CN1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine?
The InChIKey is VPRZBDNRMGCBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2/c1-10(2)7-11(3,15)8-16-6-4-5-12(13,14)9-16/h10H,4-9,15H2,1-3H3.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine?
1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 138473303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).