(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride

C13H20ClNO — CID 171194884

IUPAC(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccccc1[C@@H]1CCCCN1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;/h3-4,7,9,12,14H,2,5-6,8,10H2,1H3;1H/t12-;/m0./s1
InChIKeyJXGOCTRWIFNUKS-YDALLXLXSA-N
MW241.76 g/mol
LogP3.32
Rot. Bonds3

About (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride

(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride (PubChem CID 171194884) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
PubChem CID171194884
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
SMILESCCOc1ccccc1[C@@H]1CCCCN1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;/h3-4,7,9,12,14H,2,5-6,8,10H2,1H3;1H/t12-;/m0./s1
InChIKeyJXGOCTRWIFNUKS-YDALLXLXSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2R)-2-(2-ethoxyphenyl)azetidine
CID 131015812
2-[2-(2-methoxyethoxy)phenyl]piperidine
CID 104662497
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
(2R)-2-(5-bromo-2-ethoxyphenyl)piperidine
CID 42579904
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
(3R)-3-(2-ethoxyphenyl)morpholine
CID 42183310
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride (CID 171194884) is (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride is CCOc1ccccc1[C@@H]1CCCCN1.Cl.
What is the InChIKey of (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride?
The InChIKey is JXGOCTRWIFNUKS-YDALLXLXSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;/h3-4,7,9,12,14H,2,5-6,8,10H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride?
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171194884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).