ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane

C16H35N3 — CID 171786053

IUPACethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC.CC.CN1CCC(N2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C12H23N3.2C2H6/c1-13-5-3-11(4-6-13)15-9-12(10-15)7-14(2)8-12;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyVFFHVCVQDKKZCB-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.38
Rot. Bonds1

About ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane

ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 171786053) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID171786053
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Nameethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCC.CC.CN1CCC(N2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C12H23N3.2C2H6/c1-13-5-3-11(4-6-13)15-9-12(10-15)7-14(2)8-12;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3
InChIKeyVFFHVCVQDKKZCB-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane (CID 171786053) is ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane is CC.CC.CN1CCC(N2CC3(CN(C)C3)C2)CC1.
What is the InChIKey of ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is VFFHVCVQDKKZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.2C2H6/c1-13-5-3-11(4-6-13)15-9-12(10-15)7-14(2)8-12;2*1-2/h11H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane?
ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 269.48 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 171786053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).