2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol

C17H27NO2 — CID 13363439

IUPAC2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol
SMILESCCOc1cccc(C2(C(C)(C)O)CCN(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-5-20-15-8-6-7-14(13-15)17(16(2,3)19)9-11-18(4)12-10-17/h6-8,13,19H,5,9-12H2,1-4H3
InChIKeyUKCJFFMKAFPEAD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds4

About 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol

2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol (PubChem CID 13363439) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol
PubChem CID13363439
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol
SMILESCCOc1cccc(C2(C(C)(C)O)CCN(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-5-20-15-8-6-7-14(13-15)17(16(2,3)19)9-11-18(4)12-10-17/h6-8,13,19H,5,9-12H2,1-4H3
InChIKeyUKCJFFMKAFPEAD-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol (CID 13363439) is 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol is CCOc1cccc(C2(C(C)(C)O)CCN(C)CC2)c1.
What is the InChIKey of 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol?
The InChIKey is UKCJFFMKAFPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-15-8-6-7-14(13-15)17(16(2,3)19)9-11-18(4)12-10-17/h6-8,13,19H,5,9-12H2,1-4H3.
What are the key properties of 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol?
2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxyphenyl)-1-methylpiperidin-4-yl]propan-2-ol is sourced from PubChem (CID 13363439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).