2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride

C14H21Cl2NO — CID 56829905

IUPAC2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccccc1COCCC1CCCCN1
InChIInChI=1S/C14H20ClNO.ClH/c15-14-7-2-1-5-12(14)11-17-10-8-13-6-3-4-9-16-13;/h1-2,5,7,13,16H,3-4,6,8-11H2;1H
InChIKeyGNZFRYWHZWPKHS-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.81
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride

2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride (PubChem CID 56829905) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
PubChem CID56829905
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
SMILESCl.Clc1ccccc1COCCC1CCCCN1
InChIInChI=1S/C14H20ClNO.ClH/c15-14-7-2-1-5-12(14)11-17-10-8-13-6-3-4-9-16-13;/h1-2,5,7,13,16H,3-4,6,8-11H2;1H
InChIKeyGNZFRYWHZWPKHS-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
(2R)-2-[2-[(2,6-difluorophenyl)methoxy]ethyl]piperidine
CID 86321767
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984
2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
CID 97163934
N-[(2-chlorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731898
2-[2-(4-phenylbutoxy)ethyl]piperidine
CID 114334035
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
(2S)-2-[(2,4-dichlorophenyl)methoxymethyl]piperidine
CID 35754068
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The IUPAC name of 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride (CID 56829905) is 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride is Cl.Clc1ccccc1COCCC1CCCCN1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
The InChIKey is GNZFRYWHZWPKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c15-14-7-2-1-5-12(14)11-17-10-8-13-6-3-4-9-16-13;/h1-2,5,7,13,16H,3-4,6,8-11H2;1H.
What are the key properties of 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride?
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride is sourced from PubChem (CID 56829905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).