1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol

C30H31NO2 — CID 70129566

IUPAC1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H31NO2/c1-21(32)27-8-4-5-9-28(27)24-12-14-25(15-13-24)29-16-17-31-19-30(29)33-20-22-10-11-23-6-2-3-7-26(23)18-22/h2-15,18,21,29-32H,16-17,19-20H2,1H3
InChIKeyDJUHMIDEBXEDLW-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.22
Rot. Bonds6

About 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol

1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol (PubChem CID 70129566) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol
PubChem CID70129566
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H31NO2/c1-21(32)27-8-4-5-9-28(27)24-12-14-25(15-13-24)29-16-17-31-19-30(29)33-20-22-10-11-23-6-2-3-7-26(23)18-22/h2-15,18,21,29-32H,16-17,19-20H2,1H3
InChIKeyDJUHMIDEBXEDLW-UHFFFAOYSA-N
XLogP6.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol?
The IUPAC name of 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol (CID 70129566) is 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol is CC(O)c1ccccc1-c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol?
The InChIKey is DJUHMIDEBXEDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-21(32)27-8-4-5-9-28(27)24-12-14-25(15-13-24)29-16-17-31-19-30(29)33-20-22-10-11-23-6-2-3-7-26(23)18-22/h2-15,18,21,29-32H,16-17,19-20H2,1H3.
What are the key properties of 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol?
1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol has a molecular weight of 437.58 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]phenyl]ethanol is sourced from PubChem (CID 70129566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).