2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine

C21H42N2 — CID 138646862

IUPAC2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CC(C)(C)NC(C)(CCC(C)C2CCCN(C)C2)C1
InChIInChI=1S/C21H42N2/c1-16(2)19-13-20(4,5)22-21(6,14-19)11-10-17(3)18-9-8-12-23(7)15-18/h16-19,22H,8-15H2,1-7H3
InChIKeyAGIGZNUCESEOTF-UHFFFAOYSA-N
MW322.58 g/mol
LogP4.94
Rot. Bonds5

About 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine

2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine (PubChem CID 138646862) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine
PubChem CID138646862
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine
SMILESCC(C)C1CC(C)(C)NC(C)(CCC(C)C2CCCN(C)C2)C1
InChIInChI=1S/C21H42N2/c1-16(2)19-13-20(4,5)22-21(6,14-19)11-10-17(3)18-9-8-12-23(7)15-18/h16-19,22H,8-15H2,1-7H3
InChIKeyAGIGZNUCESEOTF-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine?
The IUPAC name of 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine (CID 138646862) is 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine.
What is the SMILES notation for 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine?
The canonical SMILES for 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine is CC(C)C1CC(C)(C)NC(C)(CCC(C)C2CCCN(C)C2)C1.
What is the InChIKey of 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine?
The InChIKey is AGIGZNUCESEOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-16(2)19-13-20(4,5)22-21(6,14-19)11-10-17(3)18-9-8-12-23(7)15-18/h16-19,22H,8-15H2,1-7H3.
What are the key properties of 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine?
2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine has a molecular weight of 322.58 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6-[3-(1-methylpiperidin-3-yl)butyl]-4-propan-2-ylpiperidine is sourced from PubChem (CID 138646862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).