1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine

C20H40N2O — CID 165372771

IUPAC1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
SMILESCC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyVSLWFIDNOFPQIG-UHFFFAOYSA-N
MW324.55 g/mol
LogP4.02
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine

1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine (PubChem CID 165372771) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
PubChem CID165372771
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine
SMILESCC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H40N2O/c1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5/h17-19H,6-16H2,1-5H3
InChIKeyVSLWFIDNOFPQIG-UHFFFAOYSA-N
XLogP4.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine (CID 165372771) is 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine is CC(C)CCN1CCC(OC2CCN(CC(C)(C)C)CC2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine?
The InChIKey is VSLWFIDNOFPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-17(2)6-11-21-12-7-18(8-13-21)23-19-9-14-22(15-10-19)16-20(3,4)5/h17-19H,6-16H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine?
1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine has a molecular weight of 324.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine is sourced from PubChem (CID 165372771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).