2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane

C17H33N3 — CID 168769171

IUPAC2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN(C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C17H33N3/c1-16(2,3)20-9-5-15(6-10-20)19-13-17(14-19)7-11-18(4)12-8-17/h15H,5-14H2,1-4H3
InChIKeyPZHHRTGTDVNIAH-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.28
Rot. Bonds1

About 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane

2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 168769171) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID168769171
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN(C1CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C17H33N3/c1-16(2,3)20-9-5-15(6-10-20)19-13-17(14-19)7-11-18(4)12-8-17/h15H,5-14H2,1-4H3
InChIKeyPZHHRTGTDVNIAH-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
4-(1-tert-butylpiperidin-4-yl)-1,2,2,6,6-pentamethylpiperazine
CID 71055637
7-methyl-2-(4-prop-1-ynylcyclohexyl)-2,7-diazaspiro[3.5]nonane
CID 155218528
ethane;6-methyl-2-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171786053
3-tert-butyl-9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 59505474
7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
CID 170371772
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
2-(1-tert-butylazetidin-3-yl)-7-thia-2-azaspiro[3.5]nonane
CID 170255368
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
N-methyl-1-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)piperidin-1-yl]methanamine
CID 171641356
5-(1-methylazetidin-3-yl)-5-azaspiro[2.3]hexane
CID 166489027
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane (CID 168769171) is 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane is CN1CCC2(CC1)CN(C1CCN(C(C)(C)C)CC1)C2.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PZHHRTGTDVNIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-16(2,3)20-9-5-15(6-10-20)19-13-17(14-19)7-11-18(4)12-8-17/h15H,5-14H2,1-4H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane?
2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 279.47 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 168769171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).