1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine

C17H30F2N2O2 — CID 75520198

IUPAC1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine
SMILESFC(F)CN1CCC(NCC2COC3(CCCCCC3)O2)CC1
InChIInChI=1S/C17H30F2N2O2/c18-16(19)12-21-9-5-14(6-10-21)20-11-15-13-22-17(23-15)7-3-1-2-4-8-17/h14-16,20H,1-13H2
InChIKeyVPTJEYIWFKKPAK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.77
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine

1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine (PubChem CID 75520198) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine
PubChem CID75520198
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Name1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine
SMILESFC(F)CN1CCC(NCC2COC3(CCCCCC3)O2)CC1
InChIInChI=1S/C17H30F2N2O2/c18-16(19)12-21-9-5-14(6-10-21)20-11-15-13-22-17(23-15)7-3-1-2-4-8-17/h14-16,20H,1-13H2
InChIKeyVPTJEYIWFKKPAK-UHFFFAOYSA-N
XLogP2.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine (CID 75520198) is 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine is FC(F)CN1CCC(NCC2COC3(CCCCCC3)O2)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine?
The InChIKey is VPTJEYIWFKKPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c18-16(19)12-21-9-5-14(6-10-21)20-11-15-13-22-17(23-15)7-3-1-2-4-8-17/h14-16,20H,1-13H2.
What are the key properties of 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine?
1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine has a molecular weight of 332.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 75520198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).