3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride

C14H22ClNO — CID 46735612

IUPAC3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
SMILESCc1ccccc1COCC1CCCNC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-12-5-2-3-7-14(12)11-16-10-13-6-4-8-15-9-13;/h2-3,5,7,13,15H,4,6,8-11H2,1H3;1H
InChIKeyWAUGTOPIEONWPT-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.93
Rot. Bonds4

About 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride

3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride (PubChem CID 46735612) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
PubChem CID46735612
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
SMILESCc1ccccc1COCC1CCCNC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-12-5-2-3-7-14(12)11-16-10-13-6-4-8-15-9-13;/h2-3,5,7,13,15H,4,6,8-11H2,1H3;1H
InChIKeyWAUGTOPIEONWPT-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-[(2-fluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831008
3-[(2-fluorophenyl)methoxymethyl]piperidine
CID 56831009
methyl 2-(piperidin-3-ylmethoxymethyl)benzoate;hydrochloride
CID 56831193
3-methyl-4-(piperidin-3-ylmethoxymethyl)benzonitrile
CID 114484471
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222
N-methyl-1-(2-methylphenyl)-N-(piperidin-3-ylmethyl)propan-2-amine;hydrochloride
CID 120858044
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride (CID 46735612) is 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride is Cc1ccccc1COCC1CCCNC1.Cl.
What is the InChIKey of 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride?
The InChIKey is WAUGTOPIEONWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-12-5-2-3-7-14(12)11-16-10-13-6-4-8-15-9-13;/h2-3,5,7,13,15H,4,6,8-11H2,1H3;1H.
What are the key properties of 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride?
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 46735612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).