[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride

C19H26ClNO4 — CID 6602746

IUPAC[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride
SMILESCCC(=O)OC1(C#CCOc2ccc(OC)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-4-18(21)24-19(11-13-20(2)14-12-19)10-5-15-23-17-8-6-16(22-3)7-9-17;/h6-9H,4,11-15H2,1-3H3;1H
InChIKeyQFCATFVKANPUCC-UHFFFAOYSA-N
MW367.87 g/mol
LogP2.92
Rot. Bonds5

About [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride

[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride (PubChem CID 6602746) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride.

Molecular Properties

Compound Name[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride
PubChem CID6602746
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride
SMILESCCC(=O)OC1(C#CCOc2ccc(OC)cc2)CCN(C)CC1.Cl
InChIInChI=1S/C19H25NO4.ClH/c1-4-18(21)24-19(11-13-20(2)14-12-19)10-5-15-23-17-8-6-16(22-3)7-9-17;/h6-9H,4,11-15H2,1-3H3;1H
InChIKeyQFCATFVKANPUCC-UHFFFAOYSA-N
XLogP2.92
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-phenoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
CID 3075794
2-(4-methoxyphenoxy)-1-(8-methyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)ethanone;hydrochloride
CID 45370124
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
16-(4-methoxyphenoxy)hexadeca-5,8,11,14-tetraynoic acid
CID 19849502
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine
CID 142009813
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclohexanamine;oxalic acid
CID 2944317
N-[4-(4-methoxyphenoxy)but-2-ynyl]cyclopentanamine
CID 2195603
4-fluoro-N,N-bis(4-methoxyphenyl)-1-methylpiperidine-4-sulfonamide;hydrochloride
CID 126721421
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
[4-(4-ethoxyphenyl)-1-methylpiperidin-4-yl]methanol
CID 82087200

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride?
The IUPAC name of [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride (CID 6602746) is [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride.
What is the SMILES notation for [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride?
The canonical SMILES for [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride is CCC(=O)OC1(C#CCOc2ccc(OC)cc2)CCN(C)CC1.Cl.
What is the InChIKey of [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride?
The InChIKey is QFCATFVKANPUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4.ClH/c1-4-18(21)24-19(11-13-20(2)14-12-19)10-5-15-23-17-8-6-16(22-3)7-9-17;/h6-9H,4,11-15H2,1-3H3;1H.
What are the key properties of [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride?
[4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride has a molecular weight of 367.87 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methoxyphenoxy)prop-1-ynyl]-1-methylpiperidin-4-yl] propanoate;hydrochloride is sourced from PubChem (CID 6602746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).