1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol

C18H29NO3 — CID 82074086

IUPAC1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H29NO3/c1-4-14-7-5-6-11-19(14)12-10-17(20)16-9-8-15(21-2)13-18(16)22-3/h8-9,13-14,17,20H,4-7,10-12H2,1-3H3
InChIKeyDQXPNWDGSPNQLC-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.39
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol

1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (PubChem CID 82074086) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
PubChem CID82074086
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H29NO3/c1-4-14-7-5-6-11-19(14)12-10-17(20)16-9-8-15(21-2)13-18(16)22-3/h8-9,13-14,17,20H,4-7,10-12H2,1-3H3
InChIKeyDQXPNWDGSPNQLC-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 61088448
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 51224634
3-(azepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-ol
CID 82105585
2-(cyclopentylamino)-1-(2,4-dimethoxyphenyl)ethanol
CID 112501830
2-(2-ethylpiperidin-1-yl)-1-(4-methoxy-2,6-dimethylphenyl)ethanol
CID 82216974
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
3-(2,3-dihydroindol-1-yl)-1-(2,4-dimethoxyphenyl)propan-1-ol
CID 82074098

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (CID 82074086) is 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is CCC1CCCCN1CCC(O)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The InChIKey is DQXPNWDGSPNQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-4-14-7-5-6-11-19(14)12-10-17(20)16-9-8-15(21-2)13-18(16)22-3/h8-9,13-14,17,20H,4-7,10-12H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol has a molecular weight of 307.43 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82074086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).