1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol

C18H29NO2 — CID 62931458

IUPAC1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
SMILESCCOc1ccc(C(C)O)cc1CN1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO2/c1-5-21-17-7-6-15(14(2)20)12-16(17)13-19-10-8-18(3,4)9-11-19/h6-7,12,14,20H,5,8-11,13H2,1-4H3
InChIKeyVHGOZKHVBPLBQG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds5

About 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol

1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol (PubChem CID 62931458) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
PubChem CID62931458
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
SMILESCCOc1ccc(C(C)O)cc1CN1CCC(C)(C)CC1
InChIInChI=1S/C18H29NO2/c1-5-21-17-7-6-15(14(2)20)12-16(17)13-19-10-8-18(3,4)9-11-19/h6-7,12,14,20H,5,8-11,13H2,1-4H3
InChIKeyVHGOZKHVBPLBQG-UHFFFAOYSA-N
XLogP3.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol?
The IUPAC name of 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol (CID 62931458) is 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol.
What is the SMILES notation for 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol?
The canonical SMILES for 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol is CCOc1ccc(C(C)O)cc1CN1CCC(C)(C)CC1.
What is the InChIKey of 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol?
The InChIKey is VHGOZKHVBPLBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-21-17-7-6-15(14(2)20)12-16(17)13-19-10-8-18(3,4)9-11-19/h6-7,12,14,20H,5,8-11,13H2,1-4H3.
What are the key properties of 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol?
1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol has a molecular weight of 291.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol is sourced from PubChem (CID 62931458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).