1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride

C16H26ClNO2 — CID 166629742

IUPAC1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-8-10-17(11-9-13)14(2)12-19-16-6-4-15(18-3)5-7-16;/h4-7,13-14H,8-12H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVYWSHKNNERDNJS-UQKRIMTDSA-N
MW299.84 g/mol
LogP3.62
Rot. Bonds5

About 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride

1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride (PubChem CID 166629742) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
PubChem CID166629742
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-13-8-10-17(11-9-13)14(2)12-19-16-6-4-15(18-3)5-7-16;/h4-7,13-14H,8-12H2,1-3H3;1H/t14-;/m0./s1
InChIKeyVYWSHKNNERDNJS-UQKRIMTDSA-N
XLogP3.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride (CID 166629742) is 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride is COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1.Cl.
What is the InChIKey of 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The InChIKey is VYWSHKNNERDNJS-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-13-8-10-17(11-9-13)14(2)12-19-16-6-4-15(18-3)5-7-16;/h4-7,13-14H,8-12H2,1-3H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 166629742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).