4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane

C25H37NO2 — CID 144539907

IUPAC4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(CCC(C)N2CCC(Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C23H31NO2.C2H6/c1-18(8-9-20-10-11-22(25)23(17-20)26-2)24-14-12-21(13-15-24)16-19-6-4-3-5-7-19;1-2/h3-7,10-11,17-18,21,25H,8-9,12-16H2,1-2H3;1-2H3
InChIKeySZCNRPRWERVFHC-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.70
Rot. Bonds7

About 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane

4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane (PubChem CID 144539907) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane.

Molecular Properties

Compound Name4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
PubChem CID144539907
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane
SMILESCC.COc1cc(CCC(C)N2CCC(Cc3ccccc3)CC2)ccc1O
InChIInChI=1S/C23H31NO2.C2H6/c1-18(8-9-20-10-11-22(25)23(17-20)26-2)24-14-12-21(13-15-24)16-19-6-4-3-5-7-19;1-2/h3-7,10-11,17-18,21,25H,8-9,12-16H2,1-2H3;1-2H3
InChIKeySZCNRPRWERVFHC-UHFFFAOYSA-N
XLogP5.70
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)butyl]-2-methoxyphenol
CID 123497705
4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
4-[(3R)-3-(1,3-dihydrobenzo[e]isoindol-2-yl)butyl]-2-methoxyphenol
CID 118283014
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
2-(4-benzylpiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506198
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
2-(4-benzylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62418678
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
CID 26320938
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane?
The IUPAC name of 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane (CID 144539907) is 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane.
What is the SMILES notation for 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane?
The canonical SMILES for 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane is CC.COc1cc(CCC(C)N2CCC(Cc3ccccc3)CC2)ccc1O.
What is the InChIKey of 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane?
The InChIKey is SZCNRPRWERVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.C2H6/c1-18(8-9-20-10-11-22(25)23(17-20)26-2)24-14-12-21(13-15-24)16-19-6-4-3-5-7-19;1-2/h3-7,10-11,17-18,21,25H,8-9,12-16H2,1-2H3;1-2H3.
What are the key properties of 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane?
4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane has a molecular weight of 383.58 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylpiperidin-1-yl)butyl]-2-methoxyphenol;ethane is sourced from PubChem (CID 144539907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).