[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

C18H29NO2 — CID 72856393

IUPAC[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCCC(CO)(CCOC)C2)cc1
InChIInChI=1S/C18H29NO2/c1-3-16-5-7-17(8-6-16)13-19-11-4-9-18(14-19,15-20)10-12-21-2/h5-8,20H,3-4,9-15H2,1-2H3
InChIKeyDTRLKYGSNIYNAB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.86
Rot. Bonds7

About [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol

[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (PubChem CID 72856393) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
PubChem CID72856393
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
SMILESCCc1ccc(CN2CCCC(CO)(CCOC)C2)cc1
InChIInChI=1S/C18H29NO2/c1-3-16-5-7-17(8-6-16)13-19-11-4-9-18(14-19,15-20)10-12-21-2/h5-8,20H,3-4,9-15H2,1-2H3
InChIKeyDTRLKYGSNIYNAB-UHFFFAOYSA-N
XLogP2.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol (CID 72856393) is [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is CCc1ccc(CN2CCCC(CO)(CCOC)C2)cc1.
What is the InChIKey of [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
The InChIKey is DTRLKYGSNIYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-16-5-7-17(8-6-16)13-19-11-4-9-18(14-19,15-20)10-12-21-2/h5-8,20H,3-4,9-15H2,1-2H3.
What are the key properties of [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol?
[1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol has a molecular weight of 291.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethylphenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).