1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride

C15H20ClNO — CID 22019021

IUPAC1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride
SMILESC#CC(c1ccc(OC)cc1)N1CCCCC1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-3-15(16-11-5-4-6-12-16)13-7-9-14(17-2)10-8-13;/h1,7-10,15H,4-6,11-12H2,2H3;1H
InChIKeyZXCMYTDZYPQXPL-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride

1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride (PubChem CID 22019021) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride
PubChem CID22019021
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride
SMILESC#CC(c1ccc(OC)cc1)N1CCCCC1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-3-15(16-11-5-4-6-12-16)13-7-9-14(17-2)10-8-13;/h1,7-10,15H,4-6,11-12H2,2H3;1H
InChIKeyZXCMYTDZYPQXPL-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetonitrile;hydrochloride
CID 91664109
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
1-[(1S,2R)-1-ethynyl-2-(4-methoxyphenyl)but-3-ynyl]-4-methoxybenzene
CID 132575101
1-[[4-(4-methoxyphenyl)phenyl]-phenylmethyl]piperidine
CID 140569426
1-[(4-methoxyphenyl)-(4-nitrophenyl)methyl]piperidine
CID 135002955
2-(3-bromo-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
CID 61036586
1-[1-(4-methoxyphenyl)-2-phenylethyl]pyrrolidine
CID 101409454
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
1-(4-methoxyphenyl)piperidine
CID 10130315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride?
The IUPAC name of 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride (CID 22019021) is 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride is C#CC(c1ccc(OC)cc1)N1CCCCC1.Cl.
What is the InChIKey of 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride?
The InChIKey is ZXCMYTDZYPQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-3-15(16-11-5-4-6-12-16)13-7-9-14(17-2)10-8-13;/h1,7-10,15H,4-6,11-12H2,2H3;1H.
What are the key properties of 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride?
1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)prop-2-ynyl]piperidine;hydrochloride is sourced from PubChem (CID 22019021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).