1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine

C17H27NO — CID 58513850

IUPAC1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
SMILESCC(C)c1ccc(COCCN2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-15(2)17-8-6-16(7-9-17)14-19-13-12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyIQNSJSRMDOLHGX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine

1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine (PubChem CID 58513850) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
PubChem CID58513850
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
SMILESCC(C)c1ccc(COCCN2CCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-15(2)17-8-6-16(7-9-17)14-19-13-12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyIQNSJSRMDOLHGX-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.81
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

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CID 153405634
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N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine
CID 105350662
CID 161147503
CID 161147503
N-[[3-(2-pyrrolidin-1-ylethoxymethyl)phenyl]methyl]propan-2-amine
CID 62460740
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
1-[2-[[3-[1-[3-[2-(aziridin-1-yl)ethoxymethyl]phenyl]ethyl]phenyl]methoxy]ethyl]aziridine
CID 101370811
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine (CID 58513850) is 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine is CC(C)c1ccc(COCCN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine?
The InChIKey is IQNSJSRMDOLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(2)17-8-6-16(7-9-17)14-19-13-12-18-10-4-3-5-11-18/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine?
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine is sourced from PubChem (CID 58513850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).