3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane

C21H41F2N3 — CID 176558300

IUPAC3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC(F)(F)C1.CC(C)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H24N2.C9H17F2N/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-8(2)6-12-5-3-4-9(10,11)7-12/h11,13H,3-10H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyPNYQLCVBGCFETE-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.23
Rot. Bonds3

About 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane

3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 176558300) has the molecular formula C21H41F2N3 and a molecular weight of 373.58 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID176558300
Molecular FormulaC21H41F2N3
Molecular Weight373.58 g/mol
Exact Mass373.33
IUPAC Name3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CN1CCCC(F)(F)C1.CC(C)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C12H24N2.C9H17F2N/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-8(2)6-12-5-3-4-9(10,11)7-12/h11,13H,3-10H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyPNYQLCVBGCFETE-UHFFFAOYSA-N
XLogP4.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane (CID 176558300) is 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane is CC(C)CN1CCCC(F)(F)C1.CC(C)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is PNYQLCVBGCFETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C9H17F2N/c1-11(2)14-9-5-12(6-10-14)3-7-13-8-4-12;1-8(2)6-12-5-3-4-9(10,11)7-12/h11,13H,3-10H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 373.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-methylpropyl)piperidine;3-propan-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 176558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).