1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

C18H29NO2 — CID 2998658

IUPAC1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C
InChIInChI=1S/C18H29NO2/c1-13-7-9-19(10-8-13)11-17(20)12-21-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,20H,7-12H2,1-4H3
InChIKeyLZHKJGDGNDVNAT-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol

1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol (PubChem CID 2998658) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
PubChem CID2998658
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C
InChIInChI=1S/C18H29NO2/c1-13-7-9-19(10-8-13)11-17(20)12-21-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,20H,7-12H2,1-4H3
InChIKeyLZHKJGDGNDVNAT-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol (CID 2998658) is 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol is Cc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
The InChIKey is LZHKJGDGNDVNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-7-9-19(10-8-13)11-17(20)12-21-18-15(3)6-5-14(2)16(18)4/h5-6,13,17,20H,7-12H2,1-4H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol?
1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol is sourced from PubChem (CID 2998658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).