4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine

C30H31NO3 — CID 24733680

IUPAC4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c2)c1
InChIInChI=1S/C30H31NO3/c1-32-27-12-13-30(33-2)29(20-27)25-8-5-9-28(19-25)34-26-14-16-31(17-15-26)21-22-10-11-23-6-3-4-7-24(23)18-22/h3-13,18-20,26H,14-17,21H2,1-2H3
InChIKeySVYATNPBAOTXPU-UHFFFAOYSA-N
MW453.58 g/mol
LogP6.57
Rot. Bonds7

About 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine

4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine (PubChem CID 24733680) has the molecular formula C30H31NO3 and a molecular weight of 453.58 g/mol. Its IUPAC name is 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
PubChem CID24733680
Molecular FormulaC30H31NO3
Molecular Weight453.58 g/mol
Exact Mass453.23
IUPAC Name4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
SMILESCOc1ccc(OC)c(-c2cccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c2)c1
InChIInChI=1S/C30H31NO3/c1-32-27-12-13-30(33-2)29(20-27)25-8-5-9-28(19-25)34-26-14-16-31(17-15-26)21-22-10-11-23-6-3-4-7-24(23)18-22/h3-13,18-20,26H,14-17,21H2,1-2H3
InChIKeySVYATNPBAOTXPU-UHFFFAOYSA-N
XLogP6.57
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 123792614
1-[[4-methoxy-3-[3-(trifluoromethoxy)phenyl]phenyl]methyl]pyrrolidin-3-ol
CID 165424536
N-(2-cyanophenyl)-4-[3-(2,5-dimethoxyphenyl)phenoxy]piperidine-1-carboxamide
CID 24733705
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
4-(3,5-dimethoxyphenyl)-7-methoxy-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-phthalazine
CID 141126289
4-(2,4-dimethoxyphenyl)-7-methoxy-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1H-phthalazine
CID 141126301
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine?
The IUPAC name of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine (CID 24733680) is 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine.
What is the SMILES notation for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine?
The canonical SMILES for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine is COc1ccc(OC)c(-c2cccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c2)c1.
What is the InChIKey of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine?
The InChIKey is SVYATNPBAOTXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3/c1-32-27-12-13-30(33-2)29(20-27)25-8-5-9-28(19-25)34-26-14-16-31(17-15-26)21-22-10-11-23-6-3-4-7-24(23)18-22/h3-13,18-20,26H,14-17,21H2,1-2H3.
What are the key properties of 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine?
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine has a molecular weight of 453.58 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine is sourced from PubChem (CID 24733680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).