2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane

C22H41N3 — CID 168786044

IUPAC2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)C1CCN(C2CCN(C3CC4(C3)CN(C(C)C)C4)CC2)CC1
InChIInChI=1S/C22H41N3/c1-17(2)19-5-9-23(10-6-19)20-7-11-24(12-8-20)21-13-22(14-21)15-25(16-22)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyOPKJRAYCJHYUGN-UHFFFAOYSA-N
MW347.59 g/mol
LogP3.69
Rot. Bonds4

About 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane

2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane (PubChem CID 168786044) has the molecular formula C22H41N3 and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
PubChem CID168786044
Molecular FormulaC22H41N3
Molecular Weight347.59 g/mol
Exact Mass347.33
IUPAC Name2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
SMILESCC(C)C1CCN(C2CCN(C3CC4(C3)CN(C(C)C)C4)CC2)CC1
InChIInChI=1S/C22H41N3/c1-17(2)19-5-9-23(10-6-19)20-7-11-24(12-8-20)21-13-22(14-21)15-25(16-22)18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyOPKJRAYCJHYUGN-UHFFFAOYSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.59
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176983528
1-butan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 170586069
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 177125941
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
1,4-di(propan-2-yl)piperidine
CID 21303253
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
ethane;2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(9-propan-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone;2-propan-2-yl-7-(4-propan-2-ylpiperidin-1-yl)-2-azaspiro[3.5]nonane
CID 177011025

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane (CID 168786044) is 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane is CC(C)C1CCN(C2CCN(C3CC4(C3)CN(C(C)C)C4)CC2)CC1.
What is the InChIKey of 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane?
The InChIKey is OPKJRAYCJHYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3/c1-17(2)19-5-9-23(10-6-19)20-7-11-24(12-8-20)21-13-22(14-21)15-25(16-22)18(3)4/h17-21H,5-16H2,1-4H3.
What are the key properties of 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane?
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane has a molecular weight of 347.59 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 168786044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).