1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride

C19H32ClNO3 — CID 21153862

IUPAC1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride
SMILESCCC(C)C(C(=O)O)c1ccccc1.CCN1CCC(O)CC1.Cl
InChIInChI=1S/C12H16O2.C7H15NO.ClH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-2-8-5-3-7(9)4-6-8;/h4-9,11H,3H2,1-2H3,(H,13,14);7,9H,2-6H2,1H3;1H
InChIKeyNSDRRPKDMFFYPA-UHFFFAOYSA-N
MW357.92 g/mol
LogP3.79
Rot. Bonds5

About 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride

1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride (PubChem CID 21153862) has the molecular formula C19H32ClNO3 and a molecular weight of 357.92 g/mol. Its IUPAC name is 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride
PubChem CID21153862
Molecular FormulaC19H32ClNO3
Molecular Weight357.92 g/mol
Exact Mass357.21
IUPAC Name1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride
SMILESCCC(C)C(C(=O)O)c1ccccc1.CCN1CCC(O)CC1.Cl
InChIInChI=1S/C12H16O2.C7H15NO.ClH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-2-8-5-3-7(9)4-6-8;/h4-9,11H,3H2,1-2H3,(H,13,14);7,9H,2-6H2,1H3;1H
InChIKeyNSDRRPKDMFFYPA-UHFFFAOYSA-N
XLogP3.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.92
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-methylpiperidin-1-ium-4-ol;3-methyl-2-phenylpentanoate;hydrobromide
CID 21151667
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
2-[(1-ethylpiperidin-4-yl)amino]-2-phenylacetic acid
CID 62110488
1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
1-cyclohexyl-4-methyl-3-phenylhexan-2-one
CID 114967641
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-phenylpentanamide;hydrochloride
CID 119455950
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
CID 104957118
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride?
The IUPAC name of 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride (CID 21153862) is 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride.
What is the SMILES notation for 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride?
The canonical SMILES for 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride is CCC(C)C(C(=O)O)c1ccccc1.CCN1CCC(O)CC1.Cl.
What is the InChIKey of 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride?
The InChIKey is NSDRRPKDMFFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C7H15NO.ClH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-2-8-5-3-7(9)4-6-8;/h4-9,11H,3H2,1-2H3,(H,13,14);7,9H,2-6H2,1H3;1H.
What are the key properties of 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride?
1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride has a molecular weight of 357.92 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidin-4-ol;3-methyl-2-phenylpentanoic acid;hydrochloride is sourced from PubChem (CID 21153862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).