9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid

C19H35N3O2 — CID 66700965

IUPAC9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESCC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(=O)O)CC3)CC1
InChIInChI=1S/C19H35N3O2/c1-18(2,3)22-14-12-20(13-15-22)16-4-6-19(7-5-16)8-10-21(11-9-19)17(23)24/h16H,4-15H2,1-3H3,(H,23,24)
InChIKeyUYDAQIQCVUSWHQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.11
Rot. Bonds1

About 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid

9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66700965) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66700965
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESCC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(=O)O)CC3)CC1
InChIInChI=1S/C19H35N3O2/c1-18(2,3)22-14-12-20(13-15-22)16-4-6-19(7-5-16)8-10-21(11-9-19)17(23)24/h16H,4-15H2,1-3H3,(H,23,24)
InChIKeyUYDAQIQCVUSWHQ-UHFFFAOYSA-N
XLogP3.11
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 66700965) is 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid is CC(C)(C)N1CCN(C2CCC3(CC2)CCN(C(=O)O)CC3)CC1.
What is the InChIKey of 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is UYDAQIQCVUSWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-18(2,3)22-14-12-20(13-15-22)16-4-6-19(7-5-16)8-10-21(11-9-19)17(23)24/h16H,4-15H2,1-3H3,(H,23,24).
What are the key properties of 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 337.51 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylpiperazin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66700965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).