3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride

C30H30ClNO2 — CID 67545240

IUPAC3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(Oc2cccc(COC3CNCCC3c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C30H29NO2.ClH/c1-3-10-24(11-4-1)25-12-8-13-26(20-25)29-17-18-31-21-30(29)32-22-23-9-7-16-28(19-23)33-27-14-5-2-6-15-27;/h1-16,19-20,29-31H,17-18,21-22H2;1H
InChIKeyLYSBPBZMQRBYQO-UHFFFAOYSA-N
MW472.03 g/mol
LogP7.23
Rot. Bonds7

About 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride

3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride (PubChem CID 67545240) has the molecular formula C30H30ClNO2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
PubChem CID67545240
Molecular FormulaC30H30ClNO2
Molecular Weight472.03 g/mol
Exact Mass471.20
IUPAC Name3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
SMILESCl.c1ccc(Oc2cccc(COC3CNCCC3c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C30H29NO2.ClH/c1-3-10-24(11-4-1)25-12-8-13-26(20-25)29-17-18-31-21-30(29)32-22-23-9-7-16-28(19-23)33-27-14-5-2-6-15-27;/h1-16,19-20,29-31H,17-18,21-22H2;1H
InChIKeyLYSBPBZMQRBYQO-UHFFFAOYSA-N
XLogP7.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)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

Related Compounds

(3R,4R)-3-phenylmethoxy-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67542732
(3R,4R)-4-(3-phenylphenyl)-3-[(4-phenylphenyl)methoxy]piperidine;hydrochloride
CID 67543801
3-[(4-bromophenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride
CID 67544762
4-(3-methylphenyl)-3-phenylmethoxypiperidine
CID 21193252
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
(3R,4R)-3-[[3-(4-methoxybutyl)-4-methylphenyl]methoxy]-4-(3-phenylphenyl)piperidine
CID 59382334
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
3-[(4-methoxyphenyl)methoxy]-4-phenylpiperidine
CID 22127654
(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
CID 59674730
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The IUPAC name of 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride (CID 67545240) is 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The canonical SMILES for 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride is Cl.c1ccc(Oc2cccc(COC3CNCCC3c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
The InChIKey is LYSBPBZMQRBYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO2.ClH/c1-3-10-24(11-4-1)25-12-8-13-26(20-25)29-17-18-31-21-30(29)32-22-23-9-7-16-28(19-23)33-27-14-5-2-6-15-27;/h1-16,19-20,29-31H,17-18,21-22H2;1H.
What are the key properties of 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride?
3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride has a molecular weight of 472.03 g/mol, XLogP of 7.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenoxyphenyl)methoxy]-4-(3-phenylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 67545240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).