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

C16H33N3 — CID 142327136

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane
SMILESCC.CN1CCC(C)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H27N3.C2H6/c1-13(4-6-15(2)7-5-13)8-17-11-14(12-17)9-16(3)10-14;1-2/h4-12H2,1-3H3;1-2H3
InChIKeyAODCPFWUTYTZGN-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.99
Rot. Bonds2

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

2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane (PubChem CID 142327136) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane
PubChem CID142327136
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane
SMILESCC.CN1CCC(C)(CN2CC3(CN(C)C3)C2)CC1
InChIInChI=1S/C14H27N3.C2H6/c1-13(4-6-15(2)7-5-13)8-17-11-14(12-17)9-16(3)10-14;1-2/h4-12H2,1-3H3;1-2H3
InChIKeyAODCPFWUTYTZGN-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 154671434
Ethane;2-ethyl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 154671602
2-Propan-2-yl-7-[2,2,2-trifluoro-1-(1-propylazetidin-3-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 155044788
2-Propan-2-yl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 162617363
2-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane
CID 167398934
2-Ethyl-7-[2,2,2-trifluoro-1-[1-(2-methylpropyl)azetidin-3-yl]ethyl]-2,7-diazaspiro[3.5]nonane
CID 169669529
2-[(3-Fluoro-1-methylazetidin-3-yl)methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276775
2-[[3-Fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]-7-methyl-2,7-diazaspiro[3.5]nonane
CID 174348574
2-[(3-Fluoro-1-propan-2-ylazetidin-3-yl)methyl]-7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174349706
2-Tert-butyl-6-[2-(1-tert-butyl-4-fluoropiperidin-4-yl)ethyl]-2,6-diazaspiro[3.3]heptane
CID 176633988
2-Tert-butyl-6-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 176634113
7-Ethyl-2-methyl-2,7-diazaspiro[3.5]nonane
CID 59187032

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane (CID 142327136) is 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane is CC.CN1CCC(C)(CN2CC3(CN(C)C3)C2)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane?
The InChIKey is AODCPFWUTYTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.C2H6/c1-13(4-6-15(2)7-5-13)8-17-11-14(12-17)9-16(3)10-14;1-2/h4-12H2,1-3H3;1-2H3.
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane?
2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane has a molecular weight of 267.46 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methyl-2,6-diazaspiro[3.3]heptane;ethane is sourced from PubChem (CID 142327136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).