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

C18H28ClNO2 — CID 68594805

IUPAC3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(OC2CCCCC2)c(OCC2CCCNC2)c1
InChIInChI=1S/C18H27NO2.ClH/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-14-15-7-6-12-19-13-15;/h4-5,10-11,15-16,19H,1-3,6-9,12-14H2;1H
InChIKeyGFAGRRHCWZDCKL-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.20
Rot. Bonds5

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

3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride (PubChem CID 68594805) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
PubChem CID68594805
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
SMILESCl.c1ccc(OC2CCCCC2)c(OCC2CCCNC2)c1
InChIInChI=1S/C18H27NO2.ClH/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-14-15-7-6-12-19-13-15;/h4-5,10-11,15-16,19H,1-3,6-9,12-14H2;1H
InChIKeyGFAGRRHCWZDCKL-UHFFFAOYSA-N
XLogP4.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[(2-methylphenoxy)methyl]piperidine
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(3R)-3-[(2-phenylphenoxy)methyl]piperidine
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difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
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(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-[(2-methylsulfonylphenoxy)methyl]piperidine
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ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride (CID 68594805) is 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride is Cl.c1ccc(OC2CCCCC2)c(OCC2CCCNC2)c1.
What is the InChIKey of 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is GFAGRRHCWZDCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-2-8-16(9-3-1)21-18-11-5-4-10-17(18)20-14-15-7-6-12-19-13-15;/h4-5,10-11,15-16,19H,1-3,6-9,12-14H2;1H.
What are the key properties of 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride?
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 68594805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).