1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid

C17H30N2O2 — CID 65065214

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C17H30N2O2/c1-3-6-17(16(20)21)7-9-19(10-8-17)15-11-13-4-5-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyMYJFZSJWNIEHJD-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.58
Rot. Bonds4

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 65065214) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID65065214
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CC3CCC(C2)N3C)CC1
InChIInChI=1S/C17H30N2O2/c1-3-6-17(16(20)21)7-9-19(10-8-17)15-11-13-4-5-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3,(H,20,21)
InChIKeyMYJFZSJWNIEHJD-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380
1-(3-propan-2-ylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 107450485
1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(2-ethyl-2-methyloxan-4-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064913
1-(2-ethylcyclopentyl)-4-propylpiperidine-4-carboxylic acid
CID 113483668
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 65069192
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
1-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxylic acid
CID 65064765

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid (CID 65065214) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C2CC3CCC(C2)N3C)CC1.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MYJFZSJWNIEHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-6-17(16(20)21)7-9-19(10-8-17)15-11-13-4-5-14(12-15)18(13)2/h13-15H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65065214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).