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

C18H29NO — CID 82073567

IUPAC3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN2CCCCC2C)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-11-14(2)18(15(3)12-13)17(20)8-10-19-9-6-5-7-16(19)4/h11-12,16-17,20H,5-10H2,1-4H3
InChIKeyLVJKNEOQNBAEHT-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.91
Rot. Bonds4

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

3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 82073567) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID82073567
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN2CCCCC2C)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-11-14(2)18(15(3)12-13)17(20)8-10-19-9-6-5-7-16(19)4/h11-12,16-17,20H,5-10H2,1-4H3
InChIKeyLVJKNEOQNBAEHT-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 82073567) is 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)CCN2CCCCC2C)c(C)c1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is LVJKNEOQNBAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-11-14(2)18(15(3)12-13)17(20)8-10-19-9-6-5-7-16(19)4/h11-12,16-17,20H,5-10H2,1-4H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol?
3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 82073567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).