2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H26N2O2 — CID 79606181

IUPAC2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN1CCC(N2C3CCC2CC(CC(=O)O)C3)CC1
InChIInChI=1S/C15H26N2O2/c1-16-6-4-12(5-7-16)17-13-2-3-14(17)9-11(8-13)10-15(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyBQGHDTDVEASPHQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds3

About 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79606181) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79606181
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN1CCC(N2C3CCC2CC(CC(=O)O)C3)CC1
InChIInChI=1S/C15H26N2O2/c1-16-6-4-12(5-7-16)17-13-2-3-14(17)9-11(8-13)10-15(18)19/h11-14H,2-10H2,1H3,(H,18,19)
InChIKeyBQGHDTDVEASPHQ-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid with MolForge

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Related Compounds

2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
2-[8-(2-ethylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605844
2-[1-(1-methylazepan-4-yl)piperidin-3-yl]acetic acid
CID 65072818
2-[8-(4-hydroxybutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606159
2-[8-(3-methylbut-3-enyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114473215
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
2-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid
CID 67212704
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-[8-(3-aminopropyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606219
2-[8-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605804
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577

Frequently Asked Questions

What is the IUPAC name of 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79606181) is 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CN1CCC(N2C3CCC2CC(CC(=O)O)C3)CC1.
What is the InChIKey of 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is BQGHDTDVEASPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-6-4-12(5-7-16)17-13-2-3-14(17)9-11(8-13)10-15(18)19/h11-14H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 266.38 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-methylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79606181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).