3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol

C16H25NO2 — CID 112512841

IUPAC3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)C2CCNCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-19-15-6-3-13(4-7-15)5-8-16(18)14-9-11-17-12-10-14/h3-4,6-7,14,16-18H,2,5,8-12H2,1H3
InChIKeyKDOWKHLLRWDONR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.38
Rot. Bonds6

About 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol

3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol (PubChem CID 112512841) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
PubChem CID112512841
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)C2CCNCC2)cc1
InChIInChI=1S/C16H25NO2/c1-2-19-15-6-3-13(4-7-15)5-8-16(18)14-9-11-17-12-10-14/h3-4,6-7,14,16-18H,2,5,8-12H2,1H3
InChIKeyKDOWKHLLRWDONR-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
3-(2-ethoxyphenoxy)-1-piperidin-4-ylpropan-1-ol
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3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
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1-cyclooctyl-3-(4-methoxyphenyl)propan-1-ol
CID 80603730
4-[5-(4-ethoxyphenyl)pentyl]piperidine
CID 91362170
4-(4-ethoxyphenyl)-2-methyl-1-piperazin-1-ylbutan-1-one
CID 83932209
4-(dichloromethyl)piperidine;4-ethoxybenzoic acid
CID 175416448
4-(4-ethoxyphenyl)piperidine
CID 21495191
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
3-(4-ethylphenoxy)-1-piperidin-3-ylpropan-1-ol
CID 112509368

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol?
The IUPAC name of 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol (CID 112512841) is 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol is CCOc1ccc(CCC(O)C2CCNCC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol?
The InChIKey is KDOWKHLLRWDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-19-15-6-3-13(4-7-15)5-8-16(18)14-9-11-17-12-10-14/h3-4,6-7,14,16-18H,2,5,8-12H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol?
3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-piperidin-4-ylpropan-1-ol is sourced from PubChem (CID 112512841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).