1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

C19H31NO — CID 79060075

IUPAC1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCc1ccc(CC(O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(3,5-2)20-13-7-6-8-14-20/h9-12,18,21H,4-8,13-15H2,1-3H3
InChIKeyLIXPTONWHRKDCY-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol

1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (PubChem CID 79060075) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
PubChem CID79060075
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
SMILESCCc1ccc(CC(O)C(C)(CC)N2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(3,5-2)20-13-7-6-8-14-20/h9-12,18,21H,4-8,13-15H2,1-3H3
InChIKeyLIXPTONWHRKDCY-UHFFFAOYSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064990
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
3-(azepan-1-yl)-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 79050927
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79060083
1-(2-bromo-5-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069489
2-methyl-2-piperidin-1-yl-1-(4-propylphenyl)butan-1-ol
CID 79060249
[1-(4-ethylphenyl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241199
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-ylpentan-2-ol
CID 79064832
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(4-amino-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79069633

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol (CID 79060075) is 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is CCc1ccc(CC(O)C(C)(CC)N2CCCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
The InChIKey is LIXPTONWHRKDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-16-9-11-17(12-10-16)15-18(21)19(3,5-2)20-13-7-6-8-14-20/h9-12,18,21H,4-8,13-15H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol?
1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol has a molecular weight of 289.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-methyl-3-piperidin-1-ylpentan-2-ol is sourced from PubChem (CID 79060075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).