2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride

C17H28ClNO — CID 56829984

IUPAC2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCC(C)c1ccc(COCCC2CCCCN2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-14(2)16-8-6-15(7-9-16)13-19-12-10-17-5-3-4-11-18-17;/h6-9,14,17-18H,3-5,10-13H2,1-2H3;1H
InChIKeyXKZYUYUBHQFVJL-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.28
Rot. Bonds6

About 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride

2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride (PubChem CID 56829984) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
PubChem CID56829984
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCC(C)c1ccc(COCCC2CCCCN2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-14(2)16-8-6-15(7-9-16)13-19-12-10-17-5-3-4-11-18-17;/h6-9,14,17-18H,3-5,10-13H2,1-2H3;1H
InChIKeyXKZYUYUBHQFVJL-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
2-[2-(1,3-benzodioxol-5-ylmethoxy)ethyl]piperidine
CID 82354069
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
3-methyl-5-(2-piperidin-2-ylethoxymethyl)pyridine
CID 102877250
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
(2R)-2-[2-[(2,6-difluorophenyl)methoxy]ethyl]piperidine
CID 86321767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride (CID 56829984) is 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride is CC(C)c1ccc(COCCC2CCCCN2)cc1.Cl.
What is the InChIKey of 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is XKZYUYUBHQFVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-14(2)16-8-6-15(7-9-16)13-19-12-10-17-5-3-4-11-18-17;/h6-9,14,17-18H,3-5,10-13H2,1-2H3;1H.
What are the key properties of 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride?
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).