4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine

C16H32N2O — CID 139602230

IUPAC4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCN2CCC(C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3
InChIKeyGXVPFBMRUDPVHA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.47
Rot. Bonds6

About 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine

4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine (PubChem CID 139602230) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine
PubChem CID139602230
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCN2CCC(C)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3
InChIKeyGXVPFBMRUDPVHA-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine (CID 139602230) is 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine is CC1CCN(CCOCCN2CCC(C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The InChIKey is GXVPFBMRUDPVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15-3-7-17(8-4-15)11-13-19-14-12-18-9-5-16(2)6-10-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine?
4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine has a molecular weight of 268.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(4-methylpiperidin-1-yl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 139602230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).