4-(2-methoxyphenyl)piperidine;hydrochloride

C12H18ClNO — CID 17174875

IUPAC4-(2-methoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccccc1C1CCNCC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKeyNMYBDSDZFMDKAC-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.58
Rot. Bonds2

About 4-(2-methoxyphenyl)piperidine;hydrochloride

4-(2-methoxyphenyl)piperidine;hydrochloride (PubChem CID 17174875) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyphenyl)piperidine;hydrochloride
PubChem CID17174875
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name4-(2-methoxyphenyl)piperidine;hydrochloride
SMILESCOc1ccccc1C1CCNCC1.Cl
InChIInChI=1S/C12H17NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-5,10,13H,6-9H2,1H3;1H
InChIKeyNMYBDSDZFMDKAC-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)piperidine;hydrochloride?
The IUPAC name of 4-(2-methoxyphenyl)piperidine;hydrochloride (CID 17174875) is 4-(2-methoxyphenyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-methoxyphenyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2-methoxyphenyl)piperidine;hydrochloride is COc1ccccc1C1CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxyphenyl)piperidine;hydrochloride?
The InChIKey is NMYBDSDZFMDKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-5,10,13H,6-9H2,1H3;1H.
What are the key properties of 4-(2-methoxyphenyl)piperidine;hydrochloride?
4-(2-methoxyphenyl)piperidine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)piperidine;hydrochloride is sourced from PubChem (CID 17174875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).