1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol

C23H31NO — CID 2729780

IUPAC1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
SMILESCCCCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-4-7-16-20-22(25)17-21(18-12-8-5-9-13-18)24(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20-23,25H,3-4,7,16-17H2,1-2H3
InChIKeyYIBLLNKVEAJJCJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.36
Rot. Bonds6

About 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol

1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol (PubChem CID 2729780) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
PubChem CID2729780
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol
SMILESCCCCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1
InChIInChI=1S/C23H31NO/c1-3-4-7-16-20-22(25)17-21(18-12-8-5-9-13-18)24(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20-23,25H,3-4,7,16-17H2,1-2H3
InChIKeyYIBLLNKVEAJJCJ-UHFFFAOYSA-N
XLogP5.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol?
The IUPAC name of 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol (CID 2729780) is 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol?
The canonical SMILES for 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol is CCCCCC1C(O)CC(c2ccccc2)N(C)C1c1ccccc1.
What is the InChIKey of 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol?
The InChIKey is YIBLLNKVEAJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-4-7-16-20-22(25)17-21(18-12-8-5-9-13-18)24(2)23(20)19-14-10-6-11-15-19/h5-6,8-15,20-23,25H,3-4,7,16-17H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol?
1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol has a molecular weight of 337.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-2,6-diphenylpiperidin-4-ol is sourced from PubChem (CID 2729780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).