1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol

C18H29NO — CID 82073504

IUPAC1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-17-7-5-6-11-19(17)12-10-18(20)16-9-8-14(2)15(3)13-16/h8-9,13,17-18,20H,4-7,10-12H2,1-3H3
InChIKeyUPYMQJABWXSKDI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.99
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol

1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (PubChem CID 82073504) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
PubChem CID82073504
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
SMILESCCC1CCCCN1CCC(O)c1ccc(C)c(C)c1
InChIInChI=1S/C18H29NO/c1-4-17-7-5-6-11-19(17)12-10-18(20)16-9-8-14(2)15(3)13-16/h8-9,13,17-18,20H,4-7,10-12H2,1-3H3
InChIKeyUPYMQJABWXSKDI-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
CID 82071378
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393
1-(2,4-dimethoxyphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074086
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
1-(3-amino-4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 82135943

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol (CID 82073504) is 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is CCC1CCCCN1CCC(O)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
The InChIKey is UPYMQJABWXSKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-17-7-5-6-11-19(17)12-10-18(20)16-9-8-14(2)15(3)13-16/h8-9,13,17-18,20H,4-7,10-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol?
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).