ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane

C18H38N2 — CID 178005549

IUPACethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane
SMILESCC.CC1CCN(CC2CC3(CCN3)C2)CC1.CCC
InChIInChI=1S/C13H24N2.C3H8.C2H6/c1-11-2-6-15(7-3-11)10-12-8-13(9-12)4-5-14-13;1-3-2;1-2/h11-12,14H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyUKJJBQOZDKMCIB-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds2

About ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane

ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane (PubChem CID 178005549) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane.

Molecular Properties

Compound Nameethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane
PubChem CID178005549
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nameethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane
SMILESCC.CC1CCN(CC2CC3(CCN3)C2)CC1.CCC
InChIInChI=1S/C13H24N2.C3H8.C2H6/c1-11-2-6-15(7-3-11)10-12-8-13(9-12)4-5-14-13;1-3-2;1-2/h11-12,14H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyUKJJBQOZDKMCIB-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane with MolForge

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

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
2-[(4-methylpiperidin-1-yl)methyl]-7-azaspiro[3.5]nonane-7-carbaldehyde;propane
CID 176968225
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
1-[(4-ethylcyclohexyl)methyl]-4-methylpiperidine
CID 167550394
6-methyl-1-azaspiro[3.3]heptane
CID 103565322
ethane;1-ethyl-4-methylpiperidine
CID 143737046
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
7-[(4-methylpiperidin-1-yl)methyl]-2-sulfanyl-2-azaspiro[3.5]nonane
CID 167251119
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
7-[[1-[(4-methylcyclohexyl)methyl]piperidin-4-yl]methyl]-2-(4-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 176639274
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084

Frequently Asked Questions

What is the IUPAC name of ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane?
The IUPAC name of ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane (CID 178005549) is ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane.
What is the SMILES notation for ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane?
The canonical SMILES for ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane is CC.CC1CCN(CC2CC3(CCN3)C2)CC1.CCC.
What is the InChIKey of ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane?
The InChIKey is UKJJBQOZDKMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C3H8.C2H6/c1-11-2-6-15(7-3-11)10-12-8-13(9-12)4-5-14-13;1-3-2;1-2/h11-12,14H,2-10H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane?
ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane has a molecular weight of 282.52 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(4-methylpiperidin-1-yl)methyl]-1-azaspiro[3.3]heptane;propane is sourced from PubChem (CID 178005549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).