1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid

C15H19NO2 — CID 116988322

IUPAC1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCCNC3)cc2)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)15(7-8-15)13-5-3-11(4-6-13)12-2-1-9-16-10-12/h3-6,12,16H,1-2,7-10H2,(H,17,18)
InChIKeyMWVOQQBVUVZLOQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.27
Rot. Bonds3

About 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid

1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 116988322) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
PubChem CID116988322
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCCNC3)cc2)CC1
InChIInChI=1S/C15H19NO2/c17-14(18)15(7-8-15)13-5-3-11(4-6-13)12-2-1-9-16-10-12/h3-6,12,16H,1-2,7-10H2,(H,17,18)
InChIKeyMWVOQQBVUVZLOQ-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid (CID 116988322) is 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(C3CCCNC3)cc2)CC1.
What is the InChIKey of 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is MWVOQQBVUVZLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)15(7-8-15)13-5-3-11(4-6-13)12-2-1-9-16-10-12/h3-6,12,16H,1-2,7-10H2,(H,17,18).
What are the key properties of 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid?
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116988322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).