3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride

C12H17Cl2NO — CID 45074918

IUPAC3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H
InChIKeyVWFRFFCKFMXVEO-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.14
Rot. Bonds3

About 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride

3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride (PubChem CID 45074918) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
PubChem CID45074918
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
SMILESCl.Clc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H
InChIKeyVWFRFFCKFMXVEO-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-3-ylmethoxy)phenol;hydrochloride
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(3S)-3-[(2,5-dichlorophenoxy)methyl]piperidine
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3-[(2-methylphenoxy)methyl]piperidine
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(3R)-3-[(2-phenylphenoxy)methyl]piperidine
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3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
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2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
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difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride (CID 45074918) is 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride is Cl.Clc1ccccc1OCC1CCCNC1.
What is the InChIKey of 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride?
The InChIKey is VWFRFFCKFMXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2;1H.
What are the key properties of 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride?
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 45074918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).