(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride

C12H17Cl2NO — CID 70139050

IUPAC(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride
SMILESC[C@@H]1C[C@H](O)C[C@H](c2cccc(Cl)c2)N1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9;/h2-4,6,8,11-12,14-15H,5,7H2,1H3;1H/t8-,11+,12-;/m1./s1
InChIKeyYRBFXLQFHQQHFR-XYQDSGAJSA-N
MW262.18 g/mol
LogP2.94
Rot. Bonds1

About (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride

(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride (PubChem CID 70139050) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride
PubChem CID70139050
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride
SMILESC[C@@H]1C[C@H](O)C[C@H](c2cccc(Cl)c2)N1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9;/h2-4,6,8,11-12,14-15H,5,7H2,1H3;1H/t8-,11+,12-;/m1./s1
InChIKeyYRBFXLQFHQQHFR-XYQDSGAJSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride?
The IUPAC name of (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride (CID 70139050) is (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride?
The canonical SMILES for (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride is C[C@@H]1C[C@H](O)C[C@H](c2cccc(Cl)c2)N1.Cl.
What is the InChIKey of (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride?
The InChIKey is YRBFXLQFHQQHFR-XYQDSGAJSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9;/h2-4,6,8,11-12,14-15H,5,7H2,1H3;1H/t8-,11+,12-;/m1./s1.
What are the key properties of (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride?
(2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 70139050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).