8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane

C23H44N2 — CID 176634043

IUPAC8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CCN(CCC2CCN(C(C)(C)C)CC2)C2(CCC2)C1
InChIInChI=1S/C23H44N2/c1-21(2,3)20-11-17-25(23(18-20)12-7-13-23)16-10-19-8-14-24(15-9-19)22(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyYBSCHTYCMDGPIE-UHFFFAOYSA-N
MW348.62 g/mol
LogP5.57
Rot. Bonds3

About 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane

8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane (PubChem CID 176634043) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
PubChem CID176634043
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
SMILESCC(C)(C)C1CCN(CCC2CCN(C(C)(C)C)CC2)C2(CCC2)C1
InChIInChI=1S/C23H44N2/c1-21(2,3)20-11-17-25(23(18-20)12-7-13-23)16-10-19-8-14-24(15-9-19)22(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyYBSCHTYCMDGPIE-UHFFFAOYSA-N
XLogP5.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-5-[2-(1-methylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane
CID 172630127
8-tert-butyl-5-cyclopropyl-5-azaspiro[3.5]nonane
CID 171594502
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
ethane;1-[2-(1-methylpiperidin-4-yl)ethyl]-4-methylsulfanyl-9-oxa-1-azaspiro[5.5]undecane
CID 172630890
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
1,4-ditert-butylpiperazine;2,6-ditert-butylspiro[3.3]heptane
CID 159702523
1-tert-butyl-4-(3-iodopropyl)piperidine
CID 118498974
1-tert-butyl-4-[2-(1-tert-butylazetidin-3-yl)ethyl]piperazine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperazin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;(1R,5S)-3-tert-butyl-6-[(4-tert-butylpiperidin-1-yl)methyl]-3-azabicyclo[3.1.0]hexane;1-tert-butyl-4-[[(3S)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;4-tert-butyl-1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1,4-ditert-butylpiperidine
CID 167620888
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane
CID 160676228
1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine
CID 134335583

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The IUPAC name of 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane (CID 176634043) is 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The canonical SMILES for 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane is CC(C)(C)C1CCN(CCC2CCN(C(C)(C)C)CC2)C2(CCC2)C1.
What is the InChIKey of 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
The InChIKey is YBSCHTYCMDGPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-21(2,3)20-11-17-25(23(18-20)12-7-13-23)16-10-19-8-14-24(15-9-19)22(4,5)6/h19-20H,7-18H2,1-6H3.
What are the key properties of 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane?
8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane has a molecular weight of 348.62 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-5-[2-(1-tert-butylpiperidin-4-yl)ethyl]-5-azaspiro[3.5]nonane is sourced from PubChem (CID 176634043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).