3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

C18H29NO3 — CID 110538254

IUPAC3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1ccc(CC2CN(CC)CCC2O)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-4-19-10-9-17(20)15(13-19)11-14-7-8-16(21-5-2)12-18(14)22-6-3/h7-8,12,15,17,20H,4-6,9-11,13H2,1-3H3
InChIKeyQQGXNXBTCUTHQE-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.73
Rot. Bonds7

About 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol

3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (PubChem CID 110538254) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
PubChem CID110538254
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
SMILESCCOc1ccc(CC2CN(CC)CCC2O)c(OCC)c1
InChIInChI=1S/C18H29NO3/c1-4-19-10-9-17(20)15(13-19)11-14-7-8-16(21-5-2)12-18(14)22-6-3/h7-8,12,15,17,20H,4-6,9-11,13H2,1-3H3
InChIKeyQQGXNXBTCUTHQE-UHFFFAOYSA-N
XLogP2.73
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110537539
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
3-[(3,5-dichloro-2,4-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110535975
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
3-[(3-bromo-4-hydroxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537918
1-benzyl-3-[(2-chloro-4-nonoxyphenyl)methyl]piperidin-4-ol
CID 110529722
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
CID 110534393

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol (CID 110538254) is 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is CCOc1ccc(CC2CN(CC)CCC2O)c(OCC)c1.
What is the InChIKey of 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
The InChIKey is QQGXNXBTCUTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-19-10-9-17(20)15(13-19)11-14-7-8-16(21-5-2)12-18(14)22-6-3/h7-8,12,15,17,20H,4-6,9-11,13H2,1-3H3.
What are the key properties of 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol?
3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol has a molecular weight of 307.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 110538254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).