3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid

C17H29NO2 — CID 65062495

IUPAC3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H29NO2/c19-17(20)7-4-13-8-10-18(11-9-13)16-3-1-2-15(12-16)14-5-6-14/h13-16H,1-12H2,(H,19,20)
InChIKeyTVDCHJQQJPHMNL-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds5

About 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid

3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid (PubChem CID 65062495) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
PubChem CID65062495
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C2CCCC(C3CC3)C2)CC1
InChIInChI=1S/C17H29NO2/c19-17(20)7-4-13-8-10-18(11-9-13)16-3-1-2-15(12-16)14-5-6-14/h13-16H,1-12H2,(H,19,20)
InChIKeyTVDCHJQQJPHMNL-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid (CID 65062495) is 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C2CCCC(C3CC3)C2)CC1.
What is the InChIKey of 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid?
The InChIKey is TVDCHJQQJPHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-17(20)7-4-13-8-10-18(11-9-13)16-3-1-2-15(12-16)14-5-6-14/h13-16H,1-12H2,(H,19,20).
What are the key properties of 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid?
3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid has a molecular weight of 279.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65062495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).