3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol

C18H29NO — CID 63159696

IUPAC3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCCC1(C)CCN(CCC(O)c2ccccc2C)CC1
InChIInChI=1S/C18H29NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-8-6-5-7-15(16)2/h5-8,17,20H,4,9-14H2,1-3H3
InChIKeyNMCBRGRJBIPMDR-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds5

About 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol

3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol (PubChem CID 63159696) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
PubChem CID63159696
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
SMILESCCC1(C)CCN(CCC(O)c2ccccc2C)CC1
InChIInChI=1S/C18H29NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-8-6-5-7-15(16)2/h5-8,17,20H,4,9-14H2,1-3H3
InChIKeyNMCBRGRJBIPMDR-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol (CID 63159696) is 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol is CCC1(C)CCN(CCC(O)c2ccccc2C)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is NMCBRGRJBIPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-18(3)10-13-19(14-11-18)12-9-17(20)16-8-6-5-7-15(16)2/h5-8,17,20H,4,9-14H2,1-3H3.
What are the key properties of 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol?
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 63159696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).