3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid

C23H29NO3 — CID 10316907

IUPAC3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
SMILESCc1ccc(C(OC2CCN(CCC(=O)O)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17-3-7-19(8-4-17)23(20-9-5-18(2)6-10-20)27-21-11-14-24(15-12-21)16-13-22(25)26/h3-10,21,23H,11-16H2,1-2H3,(H,25,26)
InChIKeySSAAFYHCXNEORP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.35
Rot. Bonds7

About 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid

3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid (PubChem CID 10316907) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
PubChem CID10316907
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid
SMILESCc1ccc(C(OC2CCN(CCC(=O)O)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H29NO3/c1-17-3-7-19(8-4-17)23(20-9-5-18(2)6-10-20)27-21-11-14-24(15-12-21)16-13-22(25)26/h3-10,21,23H,11-16H2,1-2H3,(H,25,26)
InChIKeySSAAFYHCXNEORP-UHFFFAOYSA-N
XLogP4.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid (CID 10316907) is 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid is Cc1ccc(C(OC2CCN(CCC(=O)O)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
The InChIKey is SSAAFYHCXNEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-3-7-19(8-4-17)23(20-9-5-18(2)6-10-20)27-21-11-14-24(15-12-21)16-13-22(25)26/h3-10,21,23H,11-16H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid?
3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid has a molecular weight of 367.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis(4-methylphenyl)methoxy]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 10316907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).