1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride

C32H36ClNO3 — CID 67602813

IUPAC1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride
SMILESCCCc1c(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cccc1N1CCCCC1.Cl
InChIInChI=1S/C32H35NO3.ClH/c1-4-9-29-30(33-20-6-5-7-21-33)10-8-11-31(29)36-32-27(23-12-15-25(34-2)16-13-23)18-14-24-22-26(35-3)17-19-28(24)32;/h8,10-19,22H,4-7,9,20-21H2,1-3H3;1H
InChIKeyXKEWMQOTBWEXJZ-UHFFFAOYSA-N
MW518.10 g/mol
LogP8.68
Rot. Bonds8

About 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride

1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride (PubChem CID 67602813) has the molecular formula C32H36ClNO3 and a molecular weight of 518.10 g/mol. Its IUPAC name is 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride
PubChem CID67602813
Molecular FormulaC32H36ClNO3
Molecular Weight518.10 g/mol
Exact Mass517.24
IUPAC Name1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride
SMILESCCCc1c(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cccc1N1CCCCC1.Cl
InChIInChI=1S/C32H35NO3.ClH/c1-4-9-29-30(33-20-6-5-7-21-33)10-8-11-31(29)36-32-27(23-12-15-25(34-2)16-13-23)18-14-24-22-26(35-3)17-19-28(24)32;/h8,10-19,22H,4-7,9,20-21H2,1-3H3;1H
InChIKeyXKEWMQOTBWEXJZ-UHFFFAOYSA-N
XLogP8.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.10
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride (CID 67602813) is 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride is CCCc1c(Oc2c(-c3ccc(OC)cc3)ccc3cc(OC)ccc23)cccc1N1CCCCC1.Cl.
What is the InChIKey of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride?
The InChIKey is XKEWMQOTBWEXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO3.ClH/c1-4-9-29-30(33-20-6-5-7-21-33)10-8-11-31(29)36-32-27(23-12-15-25(34-2)16-13-23)18-14-24-22-26(35-3)17-19-28(24)32;/h8,10-19,22H,4-7,9,20-21H2,1-3H3;1H.
What are the key properties of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride?
1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride has a molecular weight of 518.10 g/mol, XLogP of 8.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]oxy-2-propylphenyl]piperidine;hydrochloride is sourced from PubChem (CID 67602813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).