4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine

C17H27NO — CID 20751393

IUPAC4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
SMILESCC(C)Cc1cccc(OCCC2CCNCC2)c1
InChIInChI=1S/C17H27NO/c1-14(2)12-16-4-3-5-17(13-16)19-11-8-15-6-9-18-10-7-15/h3-5,13-15,18H,6-12H2,1-2H3
InChIKeyPVHRZVUCXDJXMU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.65
Rot. Bonds6

About 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine

4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine (PubChem CID 20751393) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
PubChem CID20751393
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
SMILESCC(C)Cc1cccc(OCCC2CCNCC2)c1
InChIInChI=1S/C17H27NO/c1-14(2)12-16-4-3-5-17(13-16)19-11-8-15-6-9-18-10-7-15/h3-5,13-15,18H,6-12H2,1-2H3
InChIKeyPVHRZVUCXDJXMU-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
4-[2-(3-iodophenoxy)ethyl]piperidine
CID 105061225
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
CID 58531244
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
(3S)-3-[2-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 93080822
1-(2,2-dideuterio-3-methylbutoxy)-3-(2-methylpropyl)benzene
CID 176775292
methyl 3-(2-piperidin-4-ylethoxy)benzoate;hydrochloride
CID 56830226
N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
CID 79707512
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
(2R)-3-[3-(3-methylbutoxy)phenyl]-2-[(3S)-pyrrolidin-3-yl]propanoic acid
CID 176775203
4-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine
CID 26192461

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine (CID 20751393) is 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine is CC(C)Cc1cccc(OCCC2CCNCC2)c1.
What is the InChIKey of 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine?
The InChIKey is PVHRZVUCXDJXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(2)12-16-4-3-5-17(13-16)19-11-8-15-6-9-18-10-7-15/h3-5,13-15,18H,6-12H2,1-2H3.
What are the key properties of 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine?
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 20751393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).