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

C17H35N3 — CID 156885432

IUPACethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC.CCN1CCC(CN2CC3(CN(CC)C3)C2)CC1
InChIInChI=1S/C15H29N3.C2H6/c1-3-16-7-5-14(6-8-16)9-18-12-15(13-18)10-17(4-2)11-15;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyXFCITGUXVOLRBX-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.38
Rot. Bonds4

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

ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 156885432) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID156885432
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Nameethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC.CCN1CCC(CN2CC3(CN(CC)C3)C2)CC1
InChIInChI=1S/C15H29N3.C2H6/c1-3-16-7-5-14(6-8-16)9-18-12-15(13-18)10-17(4-2)11-15;1-2/h14H,3-13H2,1-2H3;1-2H3
InChIKeyXFCITGUXVOLRBX-UHFFFAOYSA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171641789
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1,4-diethylpiperidine;ethane
CID 143709904
1-ethyl-4-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethylpiperazine
CID 165137418
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
CID 171641851
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64949138
ethane;N-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-amine
CID 172630625

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 156885432) is ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is CC.CCN1CCC(CN2CC3(CN(CC)C3)C2)CC1.
What is the InChIKey of ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is XFCITGUXVOLRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.C2H6/c1-3-16-7-5-14(6-8-16)9-18-12-15(13-18)10-17(4-2)11-15;1-2/h14H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 281.49 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 156885432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).