1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine

C26H37NO2 — CID 143582635

IUPAC1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine
SMILESCCC(Cc1cc(OC)c(OC)cc1C)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H37NO2/c1-5-21(17-24-18-26(29-4)25(28-3)15-20(24)2)16-22-11-13-27(14-12-22)19-23-9-7-6-8-10-23/h6-10,15,18,21-22H,5,11-14,16-17,19H2,1-4H3
InChIKeyRWJHUMAGGGYUSD-UHFFFAOYSA-N
MW395.59 g/mol
LogP5.88
Rot. Bonds9

About 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine

1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine (PubChem CID 143582635) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine
PubChem CID143582635
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC Name1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine
SMILESCCC(Cc1cc(OC)c(OC)cc1C)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H37NO2/c1-5-21(17-24-18-26(29-4)25(28-3)15-20(24)2)16-22-11-13-27(14-12-22)19-23-9-7-6-8-10-23/h6-10,15,18,21-22H,5,11-14,16-17,19H2,1-4H3
InChIKeyRWJHUMAGGGYUSD-UHFFFAOYSA-N
XLogP5.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]pentyl]piperidine
CID 143582650
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-[3-(1-benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid;hydrochloride
CID 169490787
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 143582631
(2S)-2-[(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 175025769
(2R)-2-[(R)-(1-benzylpiperidin-4-yl)-hydroxymethyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 76963216
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
1-benzyl-N-[1-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-3-amine
CID 113223845
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine?
The IUPAC name of 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine (CID 143582635) is 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine?
The canonical SMILES for 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine is CCC(Cc1cc(OC)c(OC)cc1C)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine?
The InChIKey is RWJHUMAGGGYUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-5-21(17-24-18-26(29-4)25(28-3)15-20(24)2)16-22-11-13-27(14-12-22)19-23-9-7-6-8-10-23/h6-10,15,18,21-22H,5,11-14,16-17,19H2,1-4H3.
What are the key properties of 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine?
1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine has a molecular weight of 395.59 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[(4,5-dimethoxy-2-methylphenyl)methyl]butyl]piperidine is sourced from PubChem (CID 143582635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).