3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride

C18H22ClNO — CID 2729799

IUPAC3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride
SMILESCC1C(O)CC(c2ccccc2)NC1c1ccccc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15;/h2-11,13,16-20H,12H2,1H3;1H
InChIKeyKDVJYIGUCMROAP-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.88
Rot. Bonds2

About 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride

3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride (PubChem CID 2729799) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride
PubChem CID2729799
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride
SMILESCC1C(O)CC(c2ccccc2)NC1c1ccccc1.Cl
InChIInChI=1S/C18H21NO.ClH/c1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15;/h2-11,13,16-20H,12H2,1H3;1H
InChIKeyKDVJYIGUCMROAP-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride?
The IUPAC name of 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride (CID 2729799) is 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride is CC1C(O)CC(c2ccccc2)NC1c1ccccc1.Cl.
What is the InChIKey of 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride?
The InChIKey is KDVJYIGUCMROAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO.ClH/c1-13-17(20)12-16(14-8-4-2-5-9-14)19-18(13)15-10-6-3-7-11-15;/h2-11,13,16-20H,12H2,1H3;1H.
What are the key properties of 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride?
3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 2729799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).