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

C32H36ClNO3 — CID 67582475

IUPAC1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2C(CCN2CCCCC2)Oc2ccccc2)cc1.Cl
InChIInChI=1S/C32H35NO3.ClH/c1-34-26-14-11-24(12-15-26)29-17-13-25-23-28(35-2)16-18-30(25)32(29)31(36-27-9-5-3-6-10-27)19-22-33-20-7-4-8-21-33;/h3,5-6,9-18,23,31H,4,7-8,19-22H2,1-2H3;1H
InChIKeyPNFUWDUMMAYLAW-UHFFFAOYSA-N
MW518.10 g/mol
LogP7.94
Rot. Bonds9

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

1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride (PubChem CID 67582475) 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]-3-phenoxypropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride
PubChem CID67582475
Molecular FormulaC32H36ClNO3
Molecular Weight518.10 g/mol
Exact Mass517.24
IUPAC Name1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride
SMILESCOc1ccc(-c2ccc3cc(OC)ccc3c2C(CCN2CCCCC2)Oc2ccccc2)cc1.Cl
InChIInChI=1S/C32H35NO3.ClH/c1-34-26-14-11-24(12-15-26)29-17-13-25-23-28(35-2)16-18-30(25)32(29)31(36-27-9-5-3-6-10-27)19-22-33-20-7-4-8-21-33;/h3,5-6,9-18,23,31H,4,7-8,19-22H2,1-2H3;1H
InChIKeyPNFUWDUMMAYLAW-UHFFFAOYSA-N
XLogP7.94
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.10
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride (CID 67582475) is 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride is COc1ccc(-c2ccc3cc(OC)ccc3c2C(CCN2CCCCC2)Oc2ccccc2)cc1.Cl.
What is the InChIKey of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride?
The InChIKey is PNFUWDUMMAYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO3.ClH/c1-34-26-14-11-24(12-15-26)29-17-13-25-23-28(35-2)16-18-30(25)32(29)31(36-27-9-5-3-6-10-27)19-22-33-20-7-4-8-21-33;/h3,5-6,9-18,23,31H,4,7-8,19-22H2,1-2H3;1H.
What are the key properties of 1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride?
1-[3-[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-3-phenoxypropyl]piperidine;hydrochloride has a molecular weight of 518.10 g/mol, XLogP of 7.94, 9 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]-3-phenoxypropyl]piperidine;hydrochloride is sourced from PubChem (CID 67582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).