1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

C19H31NO3 — CID 82073664

IUPAC1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCCOc1ccc(C(O)CCN2CCC(C)CC2)cc1OCC
InChIInChI=1S/C19H31NO3/c1-4-22-18-7-6-16(14-19(18)23-5-2)17(21)10-13-20-11-8-15(3)9-12-20/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3
InChIKeyZBFDLGFFCJWKPK-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.64
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol

1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073664) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073664
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
SMILESCCOc1ccc(C(O)CCN2CCC(C)CC2)cc1OCC
InChIInChI=1S/C19H31NO3/c1-4-22-18-7-6-16(14-19(18)23-5-2)17(21)10-13-20-11-8-15(3)9-12-20/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3
InChIKeyZBFDLGFFCJWKPK-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
1-(4-tert-butylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82105508
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol (CID 82073664) is 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is CCOc1ccc(C(O)CCN2CCC(C)CC2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is ZBFDLGFFCJWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-22-18-7-6-16(14-19(18)23-5-2)17(21)10-13-20-11-8-15(3)9-12-20/h6-7,14-15,17,21H,4-5,8-13H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol?
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).