2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane

C13H25N3 — CID 142389432

IUPAC2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CCC(N2CC3(CNC3)C2)C[C@@H]1C
InChIInChI=1S/C13H25N3/c1-3-15-5-4-12(6-11(15)2)16-9-13(10-16)7-14-8-13/h11-12,14H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeySWJPKHCEVANDOI-PXYINDEMSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds2

About 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane

2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (PubChem CID 142389432) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
PubChem CID142389432
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESCCN1CCC(N2CC3(CNC3)C2)C[C@@H]1C
InChIInChI=1S/C13H25N3/c1-3-15-5-4-12(6-11(15)2)16-9-13(10-16)7-14-8-13/h11-12,14H,3-10H2,1-2H3/t11-,12?/m0/s1
InChIKeySWJPKHCEVANDOI-PXYINDEMSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (CID 142389432) is 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is CCN1CCC(N2CC3(CNC3)C2)C[C@@H]1C.
What is the InChIKey of 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is SWJPKHCEVANDOI-PXYINDEMSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-15-5-4-12(6-11(15)2)16-9-13(10-16)7-14-8-13/h11-12,14H,3-10H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 142389432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).