1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine

C24H49N3O — CID 176984459

IUPAC1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCC1CN(C2CCN(C(C)C)CC2)C1.CCOCCN1CCC(CC)CC1
InChIInChI=1S/C13H26N2.C11H23NO/c1-4-12-9-15(10-12)13-5-7-14(8-6-13)11(2)3;1-3-11-5-7-12(8-6-11)9-10-13-4-2/h11-13H,4-10H2,1-3H3;11H,3-10H2,1-2H3
InChIKeyDSXUOQNHLPJCNM-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.35
Rot. Bonds8

About 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine

1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine (PubChem CID 176984459) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine
PubChem CID176984459
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC Name1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine
SMILESCCC1CN(C2CCN(C(C)C)CC2)C1.CCOCCN1CCC(CC)CC1
InChIInChI=1S/C13H26N2.C11H23NO/c1-4-12-9-15(10-12)13-5-7-14(8-6-13)11(2)3;1-3-11-5-7-12(8-6-11)9-10-13-4-2/h11-13H,4-10H2,1-3H3;11H,3-10H2,1-2H3
InChIKeyDSXUOQNHLPJCNM-UHFFFAOYSA-N
XLogP4.35
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-7-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,7-diazaspiro[3.5]nonane
CID 172129237
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4-[1-(2-Methylpropyl)piperidin-4-yl]morpholine
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4-(1-Methylpiperidin-4-yl)-2-propan-2-ylmorpholine
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CID 58998141
CID 58998141
4-[1-(1-Propan-2-ylpiperidin-4-yl)ethyl]morpholine
CID 60006813
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CID 68373966
4-[3-(4-Methylpiperidin-1-yl)propyl]morpholine
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CID 89470222

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine (CID 176984459) is 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine is CCC1CN(C2CCN(C(C)C)CC2)C1.CCOCCN1CCC(CC)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine?
The InChIKey is DSXUOQNHLPJCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C11H23NO/c1-4-12-9-15(10-12)13-5-7-14(8-6-13)11(2)3;1-3-11-5-7-12(8-6-11)9-10-13-4-2/h11-13H,4-10H2,1-3H3;11H,3-10H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine?
1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine has a molecular weight of 395.68 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-ethylpiperidine;4-(3-ethylazetidin-1-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176984459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).