(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine

C15H23NO — CID 28749787

IUPAC(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
SMILESCc1ccc(C)c(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-13(2)15(11-12)17-10-8-14-5-3-4-9-16-14/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-/m0/s1
InChIKeyWPZMGVDEGZXGEZ-AWEZNQCLSA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds4

About (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine

(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine (PubChem CID 28749787) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
PubChem CID28749787
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine
SMILESCc1ccc(C)c(OCC[C@@H]2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-13(2)15(11-12)17-10-8-14-5-3-4-9-16-14/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-/m0/s1
InChIKeyWPZMGVDEGZXGEZ-AWEZNQCLSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethyl]piperidine
CID 82354042
(2S)-2-[2-(2-bromo-4-methylphenoxy)ethyl]piperidine
CID 86320918
(2S)-2-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 86321509
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377
2-[2-(3-methylphenoxy)ethyl]pyrrolidine
CID 23339440
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2S)-2-[2-(4-bromo-3-methylphenoxy)ethyl]piperidine
CID 86320194
N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
(2S)-2-[2-(2,4-dibromophenoxy)ethyl]piperidine
CID 86320905
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
6-methyl-3-[[2-(2-piperidin-2-ylethoxy)phenyl]methyl]chromen-2-one
CID 173164904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine?
The IUPAC name of (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine (CID 28749787) is (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine.
What is the SMILES notation for (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine?
The canonical SMILES for (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine is Cc1ccc(C)c(OCC[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine?
The InChIKey is WPZMGVDEGZXGEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-7-13(2)15(11-12)17-10-8-14-5-3-4-9-16-14/h6-7,11,14,16H,3-5,8-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine?
(2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,5-dimethylphenoxy)ethyl]piperidine is sourced from PubChem (CID 28749787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).