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

C18H36N2O — CID 176983279

IUPAC1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
SMILESCCN1CCC(COCCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-19-9-5-17(6-10-19)15-21-14-13-20-11-7-18(8-12-20)16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyCYVHJBWVHWZVIG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.10
Rot. Bonds7

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

1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine (PubChem CID 176983279) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
PubChem CID176983279
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
SMILESCCN1CCC(COCCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-19-9-5-17(6-10-19)15-21-14-13-20-11-7-18(8-12-20)16(2)3/h16-18H,4-15H2,1-3H3
InChIKeyCYVHJBWVHWZVIG-UHFFFAOYSA-N
XLogP3.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[2-[(1-propan-2-ylpiperidin-4-yl)methoxy]ethyl]piperidine
CID 176982806
4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
CID 176983225
ethane;3-[(1-ethylpiperidin-4-yl)methoxy]propylazanide;tungsten
CID 157048732
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
2-[2-[4-(ethoxymethyl)piperidin-1-yl]ethoxy]ethanol
CID 111439736
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine?
The IUPAC name of 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine (CID 176983279) is 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine.
What is the SMILES notation for 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine?
The canonical SMILES for 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine is CCN1CCC(COCCN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine?
The InChIKey is CYVHJBWVHWZVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-19-9-5-17(6-10-19)15-21-14-13-20-11-7-18(8-12-20)16(2)3/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine?
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine has a molecular weight of 296.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine is sourced from PubChem (CID 176983279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).