1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate

C81H164N8O8 — CID 160907919

IUPAC1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate
SMILESCCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1
InChIInChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.2C10H21NO.C9H20N2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-5-11-8-6-10(4-2)7-9-11/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;3-9H2,1-2H3
InChIKeySQJRUGMXFKYKBW-UHFFFAOYSA-N
MW1378.25 g/mol
LogP14.91
Rot. Bonds36

About 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate

1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate (PubChem CID 160907919) has the molecular formula C81H164N8O8 and a molecular weight of 1378.25 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate
PubChem CID160907919
Molecular FormulaC81H164N8O8
Molecular Weight1378.25 g/mol
Exact Mass1377.27
IUPAC Name1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate
SMILESCCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1
InChIInChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.2C10H21NO.C9H20N2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-5-11-8-6-10(4-2)7-9-11/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;3-9H2,1-2H3
InChIKeySQJRUGMXFKYKBW-UHFFFAOYSA-N
XLogP14.91
TPSA134.28 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.25
LogP ≤ 514.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate (CID 160907919) is 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate is CCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate?
The InChIKey is SQJRUGMXFKYKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.2C10H21NO.C9H20N2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-5-11-8-6-10(4-2)7-9-11/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate?
1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate has a molecular weight of 1378.25 g/mol, XLogP of 14.91, 36 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;propyl 2-(1-propylpiperidin-4-yl)acetate is sourced from PubChem (CID 160907919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).