2-(piperidin-3-ylmethoxy)phenol;hydrochloride

C12H18ClNO2 — CID 162016330

IUPAC2-(piperidin-3-ylmethoxy)phenol;hydrochloride
SMILESCl.Oc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H17NO2.ClH/c14-11-5-1-2-6-12(11)15-9-10-4-3-7-13-8-10;/h1-2,5-6,10,13-14H,3-4,7-9H2;1H
InChIKeyYUDRABROPBQCLK-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.19
Rot. Bonds3

About 2-(piperidin-3-ylmethoxy)phenol;hydrochloride

2-(piperidin-3-ylmethoxy)phenol;hydrochloride (PubChem CID 162016330) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)phenol;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)phenol;hydrochloride
PubChem CID162016330
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-(piperidin-3-ylmethoxy)phenol;hydrochloride
SMILESCl.Oc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H17NO2.ClH/c14-11-5-1-2-6-12(11)15-9-10-4-3-7-13-8-10;/h1-2,5-6,10,13-14H,3-4,7-9H2;1H
InChIKeyYUDRABROPBQCLK-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
3-[(2-methylsulfonylphenoxy)methyl]piperidine
CID 62348042
8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)phenol;hydrochloride?
The IUPAC name of 2-(piperidin-3-ylmethoxy)phenol;hydrochloride (CID 162016330) is 2-(piperidin-3-ylmethoxy)phenol;hydrochloride.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)phenol;hydrochloride?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)phenol;hydrochloride is Cl.Oc1ccccc1OCC1CCCNC1.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)phenol;hydrochloride?
The InChIKey is YUDRABROPBQCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c14-11-5-1-2-6-12(11)15-9-10-4-3-7-13-8-10;/h1-2,5-6,10,13-14H,3-4,7-9H2;1H.
What are the key properties of 2-(piperidin-3-ylmethoxy)phenol;hydrochloride?
2-(piperidin-3-ylmethoxy)phenol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethoxy)phenol;hydrochloride is sourced from PubChem (CID 162016330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).