1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine

C29H29NOS — CID 22729934

IUPAC1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
SMILESCOc1cccc(C2(c3ccc(-c4cccs4)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C29H29NOS/c1-31-27-10-5-9-26(21-27)29(25-14-12-24(13-15-25)28-11-6-20-32-28)16-18-30(19-17-29)22-23-7-3-2-4-8-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyXJCGXPGHJWWWNS-UHFFFAOYSA-N
MW439.62 g/mol
LogP7.01
Rot. Bonds6

About 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine

1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine (PubChem CID 22729934) has the molecular formula C29H29NOS and a molecular weight of 439.62 g/mol. Its IUPAC name is 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
PubChem CID22729934
Molecular FormulaC29H29NOS
Molecular Weight439.62 g/mol
Exact Mass439.20
IUPAC Name1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine
SMILESCOc1cccc(C2(c3ccc(-c4cccs4)cc3)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C29H29NOS/c1-31-27-10-5-9-26(21-27)29(25-14-12-24(13-15-25)28-11-6-20-32-28)16-18-30(19-17-29)22-23-7-3-2-4-8-23/h2-15,20-21H,16-19,22H2,1H3
InChIKeyXJCGXPGHJWWWNS-UHFFFAOYSA-N
XLogP7.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.62
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-benzyl-4-(3-methoxyphenyl)piperidin-4-yl]phenol
CID 22729919
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-benzyl-4-(3-methoxyphenyl)-N-oxopiperidine-4-carboxamide
CID 57241703
4-[1-benzyl-3-(3-methoxyphenyl)piperidin-3-yl]-N,N-diethylbenzamide
CID 12968707
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
[1-benzyl-4-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 95504616
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
CID 20607368
(4aR,8aS)-2-benzyl-8a-hydroxy-4a-(3-methoxyphenyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one
CID 67693160
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
4-[1-benzyl-4-(3-methoxy-4-methylphenyl)piperidin-4-yl]-N,N-diethylbenzamide
CID 22729938

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine?
The IUPAC name of 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine (CID 22729934) is 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine?
The canonical SMILES for 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine is COc1cccc(C2(c3ccc(-c4cccs4)cc3)CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine?
The InChIKey is XJCGXPGHJWWWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NOS/c1-31-27-10-5-9-26(21-27)29(25-14-12-24(13-15-25)28-11-6-20-32-28)16-18-30(19-17-29)22-23-7-3-2-4-8-23/h2-15,20-21H,16-19,22H2,1H3.
What are the key properties of 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine?
1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine has a molecular weight of 439.62 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methoxyphenyl)-4-(4-thiophen-2-ylphenyl)piperidine is sourced from PubChem (CID 22729934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).