2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid

C24H25NO3 — CID 22127042

IUPAC2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25NO3/c26-24(27)14-17-5-9-20(10-6-17)22-11-12-25-15-23(22)28-16-18-7-8-19-3-1-2-4-21(19)13-18/h1-10,13,22-23,25H,11-12,14-16H2,(H,26,27)
InChIKeyPKPLRZSMSSHNCM-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.13
Rot. Bonds6

About 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid

2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid (PubChem CID 22127042) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
PubChem CID22127042
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H25NO3/c26-24(27)14-17-5-9-20(10-6-17)22-11-12-25-15-23(22)28-16-18-7-8-19-3-1-2-4-21(19)13-18/h1-10,13,22-23,25H,11-12,14-16H2,(H,26,27)
InChIKeyPKPLRZSMSSHNCM-UHFFFAOYSA-N
XLogP4.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid (CID 22127042) is 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid is O=C(O)Cc1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid?
The InChIKey is PKPLRZSMSSHNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c26-24(27)14-17-5-9-20(10-6-17)22-11-12-25-15-23(22)28-16-18-7-8-19-3-1-2-4-21(19)13-18/h1-10,13,22-23,25H,11-12,14-16H2,(H,26,27).
What are the key properties of 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid?
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid is sourced from PubChem (CID 22127042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).