3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride

C22H30ClNO — CID 2879638

IUPAC3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
SMILESCCCC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(C)O.Cl
InChIInChI=1S/C22H29NO.ClH/c1-4-11-19-21(18-14-9-6-10-15-18)23-20(16(2)22(19,3)24)17-12-7-5-8-13-17;/h5-10,12-16,19-21,23-24H,4,11H2,1-3H3;1H
InChIKeyOLXMBCGTGWIZEW-UHFFFAOYSA-N
MW359.94 g/mol
LogP5.30
Rot. Bonds4

About 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride

3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride (PubChem CID 2879638) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
PubChem CID2879638
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC Name3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride
SMILESCCCC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(C)O.Cl
InChIInChI=1S/C22H29NO.ClH/c1-4-11-19-21(18-14-9-6-10-15-18)23-20(16(2)22(19,3)24)17-12-7-5-8-13-17;/h5-10,12-16,19-21,23-24H,4,11H2,1-3H3;1H
InChIKeyOLXMBCGTGWIZEW-UHFFFAOYSA-N
XLogP5.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride?
The IUPAC name of 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride (CID 2879638) is 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride?
The canonical SMILES for 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride is CCCC1C(c2ccccc2)NC(c2ccccc2)C(C)C1(C)O.Cl.
What is the InChIKey of 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride?
The InChIKey is OLXMBCGTGWIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO.ClH/c1-4-11-19-21(18-14-9-6-10-15-18)23-20(16(2)22(19,3)24)17-12-7-5-8-13-17;/h5-10,12-16,19-21,23-24H,4,11H2,1-3H3;1H.
What are the key properties of 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride?
3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,6-diphenyl-5-propylpiperidin-4-ol;hydrochloride is sourced from PubChem (CID 2879638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).