1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol

C23H31NO3 — CID 110534393

IUPAC1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cccc(OC)c2OCc2cccc(C)c2)C1
InChIInChI=1S/C23H31NO3/c1-4-24-12-11-21(25)20(15-24)14-19-9-6-10-22(26-3)23(19)27-16-18-8-5-7-17(2)13-18/h5-10,13,20-21,25H,4,11-12,14-16H2,1-3H3
InChIKeyIIFHIELNSQMIIU-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.83
Rot. Bonds7

About 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol

1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol (PubChem CID 110534393) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
PubChem CID110534393
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol
SMILESCCN1CCC(O)C(Cc2cccc(OC)c2OCc2cccc(C)c2)C1
InChIInChI=1S/C23H31NO3/c1-4-24-12-11-21(25)20(15-24)14-19-9-6-10-22(26-3)23(19)27-16-18-8-5-7-17(2)13-18/h5-10,13,20-21,25H,4,11-12,14-16H2,1-3H3
InChIKeyIIFHIELNSQMIIU-UHFFFAOYSA-N
XLogP3.83
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
3-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110537452
4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
3-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110530591
4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]butane-1,2-diol
CID 82185820
(2S)-2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51988439
1-(bromomethyl)-3-ethoxy-2-[(3-methylphenyl)methoxy]benzene
CID 43174682
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
3-[[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methyl]-1-ethylpiperidin-4-ol
CID 110532589
3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110538254
N-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 39455732

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol (CID 110534393) is 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol is CCN1CCC(O)C(Cc2cccc(OC)c2OCc2cccc(C)c2)C1.
What is the InChIKey of 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol?
The InChIKey is IIFHIELNSQMIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-24-12-11-21(25)20(15-24)14-19-9-6-10-22(26-3)23(19)27-16-18-8-5-7-17(2)13-18/h5-10,13,20-21,25H,4,11-12,14-16H2,1-3H3.
What are the key properties of 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol?
1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol has a molecular weight of 369.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 110534393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).