1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine

C21H43NO — CID 22754560

IUPAC1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CCC1(C)CCC(CC(C)C)C(C)(CCC(C)C)N1O
InChIInChI=1S/C21H43NO/c1-16(2)9-12-20(7)13-11-19(15-18(5)6)21(8,22(20)23)14-10-17(3)4/h16-19,23H,9-15H2,1-8H3
InChIKeyLNWMCELEPCVEAO-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.52
Rot. Bonds8

About 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine

1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine (PubChem CID 22754560) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine
PubChem CID22754560
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CCC1(C)CCC(CC(C)C)C(C)(CCC(C)C)N1O
InChIInChI=1S/C21H43NO/c1-16(2)9-12-20(7)13-11-19(15-18(5)6)21(8,22(20)23)14-10-17(3)4/h16-19,23H,9-15H2,1-8H3
InChIKeyLNWMCELEPCVEAO-UHFFFAOYSA-N
XLogP6.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine (CID 22754560) is 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine is CC(C)CCC1(C)CCC(CC(C)C)C(C)(CCC(C)C)N1O.
What is the InChIKey of 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine?
The InChIKey is LNWMCELEPCVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-16(2)9-12-20(7)13-11-19(15-18(5)6)21(8,22(20)23)14-10-17(3)4/h16-19,23H,9-15H2,1-8H3.
What are the key properties of 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine?
1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine has a molecular weight of 325.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,6-dimethyl-2,6-bis(3-methylbutyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 22754560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).