2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid

C11H19NO2 — CID 28693957

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CC2)CC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-9-3-5-12(6-4-9)8-10-1-2-10/h9-10H,1-8H2,(H,13,14)
InChIKeyAETJHWCPIJJHQG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid

2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid (PubChem CID 28693957) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid
PubChem CID28693957
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC2CC2)CC1
InChIInChI=1S/C11H19NO2/c13-11(14)7-9-3-5-12(6-4-9)8-10-1-2-10/h9-10H,1-8H2,(H,13,14)
InChIKeyAETJHWCPIJJHQG-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid (CID 28693957) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid?
The InChIKey is AETJHWCPIJJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(14)7-9-3-5-12(6-4-9)8-10-1-2-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid?
2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 28693957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).