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

C19H31NO3 — CID 110537539

IUPAC3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(OCC)cc2OCC)C1
InChIInChI=1S/C19H31NO3/c1-4-10-20-11-9-18(21)16(14-20)12-15-7-8-17(22-5-2)13-19(15)23-6-3/h7-8,13,16,18,21H,4-6,9-12,14H2,1-3H3
InChIKeyGNMJFEGXTSEYAD-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.12
Rot. Bonds8

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

3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol (PubChem CID 110537539) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
PubChem CID110537539
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)C(Cc2ccc(OCC)cc2OCC)C1
InChIInChI=1S/C19H31NO3/c1-4-10-20-11-9-18(21)16(14-20)12-15-7-8-17(22-5-2)13-19(15)23-6-3/h7-8,13,16,18,21H,4-6,9-12,14H2,1-3H3
InChIKeyGNMJFEGXTSEYAD-UHFFFAOYSA-N
XLogP3.12
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-diethoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 110538254
3-[(2-chloro-4-nonoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110531882
3-[(3-chloro-4-ethoxyphenyl)methyl]-1-propylpiperidin-4-ol
CID 110538030
1-propyl-3-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-ol
CID 110537453
3-[(2,4-dimethoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110539908
2-[(4-hydroxy-1-propylpiperidin-3-yl)methyl]benzoic acid
CID 110539552
3-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-propylpiperidin-4-ol
CID 110534149
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
1-benzyl-3-[(2-chloro-4-nonoxyphenyl)methyl]piperidin-4-ol
CID 110529722
1-ethyl-3-[(2-methoxyphenyl)methyl]piperidin-4-ol
CID 110540222
2-(4-ethoxy-2-methylphenyl)-2-(1-propylpiperidin-4-yl)ethanamine
CID 83974261
3-[(2-heptoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110537623

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol (CID 110537539) is 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)C(Cc2ccc(OCC)cc2OCC)C1.
What is the InChIKey of 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
The InChIKey is GNMJFEGXTSEYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-10-20-11-9-18(21)16(14-20)12-15-7-8-17(22-5-2)13-19(15)23-6-3/h7-8,13,16,18,21H,4-6,9-12,14H2,1-3H3.
What are the key properties of 3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol?
3-[(2,4-diethoxyphenyl)methyl]-1-propylpiperidin-4-ol has a molecular weight of 321.46 g/mol, XLogP of 3.12, 8 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-propylpiperidin-4-ol is sourced from PubChem (CID 110537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).