1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride

C18H30ClNO — CID 2865485

IUPAC1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
SMILESCC(C)c1ccccc1OCCCCN1CCCCC1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-16(2)17-10-4-5-11-18(17)20-15-9-8-14-19-12-6-3-7-13-19;/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3;1H
InChIKeyJJCDBAAQAVQOBO-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.88
Rot. Bonds7

About 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride

1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride (PubChem CID 2865485) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
PubChem CID2865485
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
SMILESCC(C)c1ccccc1OCCCCN1CCCCC1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-16(2)17-10-4-5-11-18(17)20-15-9-8-14-19-12-6-3-7-13-19;/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3;1H
InChIKeyJJCDBAAQAVQOBO-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
1-[2-(2-piperidin-1-ylethoxy)phenyl]propan-1-ol
CID 43503527
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
1-[5-(2,3-dimethylphenoxy)pentyl]piperidine
CID 2057431
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611
1-octoxy-2-propan-2-ylbenzene
CID 64765685

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride?
The IUPAC name of 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride (CID 2865485) is 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride?
The canonical SMILES for 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride is CC(C)c1ccccc1OCCCCN1CCCCC1.Cl.
What is the InChIKey of 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride?
The InChIKey is JJCDBAAQAVQOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c1-16(2)17-10-4-5-11-18(17)20-15-9-8-14-19-12-6-3-7-13-19;/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3;1H.
What are the key properties of 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride?
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride is sourced from PubChem (CID 2865485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).