1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride

C16H25Cl2NO — CID 45260606

IUPAC1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C[C@@H](C)COc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyAAVHACDKTJXPCF-PFEQFJNWSA-N
MW318.29 g/mol
LogP4.51
Rot. Bonds5

About 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride

1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride (PubChem CID 45260606) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride
PubChem CID45260606
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C[C@@H](C)COc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyAAVHACDKTJXPCF-PFEQFJNWSA-N
XLogP4.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride (CID 45260606) is 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride is CC1CCN(C[C@@H](C)COc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride?
The InChIKey is AAVHACDKTJXPCF-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H24ClNO.ClH/c1-13-7-9-18(10-8-13)11-14(2)12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride?
1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride has a molecular weight of 318.29 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(4-chlorophenoxy)-2-methylpropyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 45260606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).