1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride

C19H30ClNO2 — CID 19933912

IUPAC1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
SMILESCCCC(=O)CCN1CCC(C)(c2cccc(O)c2)C(C)C1.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-4-6-17(21)9-11-20-12-10-19(3,15(2)14-20)16-7-5-8-18(22)13-16;/h5,7-8,13,15,22H,4,6,9-12,14H2,1-3H3;1H
InChIKeyXKOCKWGRNBAFDR-UHFFFAOYSA-N
MW339.91 g/mol
LogP4.17
Rot. Bonds6

About 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride

1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride (PubChem CID 19933912) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
PubChem CID19933912
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride
SMILESCCCC(=O)CCN1CCC(C)(c2cccc(O)c2)C(C)C1.Cl
InChIInChI=1S/C19H29NO2.ClH/c1-4-6-17(21)9-11-20-12-10-19(3,15(2)14-20)16-7-5-8-18(22)13-16;/h5,7-8,13,15,22H,4,6,9-12,14H2,1-3H3;1H
InChIKeyXKOCKWGRNBAFDR-UHFFFAOYSA-N
XLogP4.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride?
The IUPAC name of 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride (CID 19933912) is 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride?
The canonical SMILES for 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride is CCCC(=O)CCN1CCC(C)(c2cccc(O)c2)C(C)C1.Cl.
What is the InChIKey of 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride?
The InChIKey is XKOCKWGRNBAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2.ClH/c1-4-6-17(21)9-11-20-12-10-19(3,15(2)14-20)16-7-5-8-18(22)13-16;/h5,7-8,13,15,22H,4,6,9-12,14H2,1-3H3;1H.
What are the key properties of 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride?
1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]hexan-3-one;hydrochloride is sourced from PubChem (CID 19933912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).