1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride

C16H25Cl2NO — CID 45260632

IUPAC1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN([C@@H](C)CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m0./s1
InChIKeyYUEIKILWTJEYSX-UQKRIMTDSA-N
MW318.29 g/mol
LogP4.65
Rot. Bonds5

About 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride

1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride (PubChem CID 45260632) has the molecular formula C16H25Cl2NO and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride
PubChem CID45260632
Molecular FormulaC16H25Cl2NO
Molecular Weight318.29 g/mol
Exact Mass317.13
IUPAC Name1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN([C@@H](C)CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C16H24ClNO.ClH/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m0./s1
InChIKeyYUEIKILWTJEYSX-UQKRIMTDSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride (CID 45260632) is 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride is CC1CCN([C@@H](C)CCOc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride?
The InChIKey is YUEIKILWTJEYSX-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H24ClNO.ClH/c1-13-7-10-18(11-8-13)14(2)9-12-19-16-5-3-15(17)4-6-16;/h3-6,13-14H,7-12H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride?
1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride has a molecular weight of 318.29 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 45260632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).