4-(3-methylphenoxy)piperidine;hydrochloride

C12H18ClNO — CID 17196729

IUPAC4-(3-methylphenoxy)piperidine;hydrochloride
SMILESCc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;/h2-4,9,11,13H,5-8H2,1H3;1H
InChIKeyDWNYKCNHGLQQNA-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.55
Rot. Bonds2

About 4-(3-methylphenoxy)piperidine;hydrochloride

4-(3-methylphenoxy)piperidine;hydrochloride (PubChem CID 17196729) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(3-methylphenoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(3-methylphenoxy)piperidine;hydrochloride
PubChem CID17196729
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-(3-methylphenoxy)piperidine;hydrochloride
SMILESCc1cccc(OC2CCNCC2)c1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;/h2-4,9,11,13H,5-8H2,1H3;1H
InChIKeyDWNYKCNHGLQQNA-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)piperidine;hydrochloride?
The IUPAC name of 4-(3-methylphenoxy)piperidine;hydrochloride (CID 17196729) is 4-(3-methylphenoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(3-methylphenoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(3-methylphenoxy)piperidine;hydrochloride is Cc1cccc(OC2CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-methylphenoxy)piperidine;hydrochloride?
The InChIKey is DWNYKCNHGLQQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;/h2-4,9,11,13H,5-8H2,1H3;1H.
What are the key properties of 4-(3-methylphenoxy)piperidine;hydrochloride?
4-(3-methylphenoxy)piperidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)piperidine;hydrochloride is sourced from PubChem (CID 17196729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).