1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen

C19H39N3O2 — CID 176576637

IUPAC1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen
SMILESCCNCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C19H37N3O2.H2/c1-4-20-9-14-21-10-5-17(6-11-21)24-18-7-12-22(13-8-18)15-19(23)16(2)3;/h16-18,20H,4-15H2,1-3H3;1H
InChIKeyRBJUBPPSUDPCQY-UHFFFAOYSA-N
MW341.54 g/mol
LogP2.01
Rot. Bonds9

About 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen

1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen (PubChem CID 176576637) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen
PubChem CID176576637
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen
SMILESCCNCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C19H37N3O2.H2/c1-4-20-9-14-21-10-5-17(6-11-21)24-18-7-12-22(13-8-18)15-19(23)16(2)3;/h16-18,20H,4-15H2,1-3H3;1H
InChIKeyRBJUBPPSUDPCQY-UHFFFAOYSA-N
XLogP2.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine
CID 165116457
Ethane;1-(3-methoxypropyl)-4-(3-piperidin-4-yloxypropyl)piperazine
CID 171082723
3-Methyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 171799915
3-Methyl-1-(4-piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604303
1-(4-Piperidin-4-yloxypiperidin-1-yl)butan-2-one
CID 172604470
Ethane;3-methyl-1-[4-(piperazin-1-ylmethyl)piperidin-1-yl]butan-2-one
CID 172604852
1-[4-[1-[2-(Ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one
CID 176576638
Ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one
CID 176577176
3-Methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]butan-2-one
CID 176577325
3-Methyl-1-[4-[1-[2-(propan-2-ylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 176578664
3-Methyl-1-[4-[[4-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]butan-2-one
CID 176579275
3-Methyl-1-[4-[[1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 176579422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen?
The IUPAC name of 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen (CID 176576637) is 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen.
What is the SMILES notation for 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen?
The canonical SMILES for 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen is CCNCCN1CCC(OC2CCN(CC(=O)C(C)C)CC2)CC1.[H][H].
What is the InChIKey of 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen?
The InChIKey is RBJUBPPSUDPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2.H2/c1-4-20-9-14-21-10-5-17(6-11-21)24-18-7-12-22(13-8-18)15-19(23)16(2)3;/h16-18,20H,4-15H2,1-3H3;1H.
What are the key properties of 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen?
1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen has a molecular weight of 341.54 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[2-(ethylamino)ethyl]piperidin-4-yl]oxypiperidin-1-yl]-3-methylbutan-2-one;molecular hydrogen is sourced from PubChem (CID 176576637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).