4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine

C17H34N2O — CID 176982806

IUPAC4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
SMILESCC1CCN(CCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)19-10-6-17(7-11-19)14-20-13-12-18-8-4-16(3)5-9-18/h15-17H,4-14H2,1-3H3
InChIKeyZOJUROJWNNIXGS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.86
Rot. Bonds6

About 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine

4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine (PubChem CID 176982806) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
PubChem CID176982806
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
SMILESCC1CCN(CCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-15(2)19-10-6-17(7-11-19)14-20-13-12-18-8-4-16(3)5-9-18/h15-17H,4-14H2,1-3H3
InChIKeyZOJUROJWNNIXGS-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.86
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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Related Compounds

4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
CID 176983225
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-methyl-1-[2-[2-(2-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 40573611

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine (CID 176982806) is 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine is CC1CCN(CCOCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine?
The InChIKey is ZOJUROJWNNIXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)19-10-6-17(7-11-19)14-20-13-12-18-8-4-16(3)5-9-18/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine?
4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine has a molecular weight of 282.47 g/mol, XLogP of 2.86, 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-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine is sourced from PubChem (CID 176982806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).