4-[(3-methylphenyl)methoxy]piperidine;hydrochloride

C13H20ClNO — CID 45075442

IUPAC4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
SMILESCc1cccc(COC2CCNCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-3-2-4-12(9-11)10-15-13-5-7-14-8-6-13;/h2-4,9,13-14H,5-8,10H2,1H3;1H
InChIKeyURERXPUJHMUFRQ-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.69
Rot. Bonds3

About 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride

4-[(3-methylphenyl)methoxy]piperidine;hydrochloride (PubChem CID 45075442) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
PubChem CID45075442
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
SMILESCc1cccc(COC2CCNCC2)c1.Cl
InChIInChI=1S/C13H19NO.ClH/c1-11-3-2-4-12(9-11)10-15-13-5-7-14-8-6-13;/h2-4,9,13-14H,5-8,10H2,1H3;1H
InChIKeyURERXPUJHMUFRQ-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
4-[(3-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807401
N-[4-[(3-methylphenyl)methoxy]cyclohexylidene]hydroxylamine
CID 113414232
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
CID 45075467
4-phenylmethoxyazepane
CID 63716383
N-ethyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63876380
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
CID 141095179
4-[(3,4-difluorophenyl)methoxy]piperidine
CID 67355988
N-[2-(3-methylphenyl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63903931
4-[(2-methoxy-5-methylphenyl)methoxy]piperidine
CID 62159793

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride?
The IUPAC name of 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride (CID 45075442) is 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride is Cc1cccc(COC2CCNCC2)c1.Cl.
What is the InChIKey of 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride?
The InChIKey is URERXPUJHMUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-11-3-2-4-12(9-11)10-15-13-5-7-14-8-6-13;/h2-4,9,13-14H,5-8,10H2,1H3;1H.
What are the key properties of 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride?
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methoxy]piperidine;hydrochloride is sourced from PubChem (CID 45075442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).