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

C15H23Cl2NO — CID 10335163

IUPAC1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15;/h3-6,12-13H,7-11H2,1-2H3;1H/t13-;/m0./s1
InChIKeyXYJBGOPXYQIQSY-ZOWNYOTGSA-N
MW304.26 g/mol
LogP4.26
Rot. Bonds4

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

1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride (PubChem CID 10335163) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
PubChem CID10335163
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C15H22ClNO.ClH/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15;/h3-6,12-13H,7-11H2,1-2H3;1H/t13-;/m0./s1
InChIKeyXYJBGOPXYQIQSY-ZOWNYOTGSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[2-(4-Chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride
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(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
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CID 742653
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CID 45264579

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride (CID 10335163) is 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride is CC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
The InChIKey is XYJBGOPXYQIQSY-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H22ClNO.ClH/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15;/h3-6,12-13H,7-11H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride?
1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride has a molecular weight of 304.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(4-chlorophenoxy)propan-2-yl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 10335163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).