2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane

C20H38N2 — CID 167091312

IUPAC2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(N1CCC(C(C)(C)C)CC1)C2
InChIInChI=1S/C20H38N2/c1-16(2)21-12-8-20(9-13-21)14-18(15-20)22-10-6-17(7-11-22)19(3,4)5/h16-18H,6-15H2,1-5H3
InChIKeyGKAQPHLIDMWASP-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.40
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane

2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 167091312) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID167091312
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(N1CCC(C(C)(C)C)CC1)C2
InChIInChI=1S/C20H38N2/c1-16(2)21-12-8-20(9-13-21)14-18(15-20)22-10-6-17(7-11-22)19(3,4)5/h16-18H,6-15H2,1-5H3
InChIKeyGKAQPHLIDMWASP-UHFFFAOYSA-N
XLogP4.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
7-propan-2-yl-2-(5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-7-azaspiro[3.5]nonane
CID 166559678
2-[2-(4-cyclopropylpiperidin-1-yl)propan-2-yl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 131989875
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171748190
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
1-(azetidin-3-yl)-4-tert-butylpiperidine
CID 62785369
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 167091312) is 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CC(N1CCC(C(C)(C)C)CC1)C2.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is GKAQPHLIDMWASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-16(2)21-12-8-20(9-13-21)14-18(15-20)22-10-6-17(7-11-22)19(3,4)5/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 306.54 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 167091312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).