1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen

C15H32N2O2 — CID 166466880

IUPAC1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
SMILESCCNC1CCN(C(=O)CCCCOC(C)C)CC1.[H][H]
InChIInChI=1S/C15H30N2O2.H2/c1-4-16-14-8-10-17(11-9-14)15(18)7-5-6-12-19-13(2)3;/h13-14,16H,4-12H2,1-3H3;1H
InChIKeyQPIRDEYWQSUCDT-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.43
Rot. Bonds8

About 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen

1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen (PubChem CID 166466880) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
PubChem CID166466880
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
SMILESCCNC1CCN(C(=O)CCCCOC(C)C)CC1.[H][H]
InChIInChI=1S/C15H30N2O2.H2/c1-4-16-14-8-10-17(11-9-14)15(18)7-5-6-12-19-13(2)3;/h13-14,16H,4-12H2,1-3H3;1H
InChIKeyQPIRDEYWQSUCDT-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
CID 107937213
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
1-[3-(ethylamino)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 165440296
5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen?
The IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen (CID 166466880) is 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen.
What is the SMILES notation for 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen?
The canonical SMILES for 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen is CCNC1CCN(C(=O)CCCCOC(C)C)CC1.[H][H].
What is the InChIKey of 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen?
The InChIKey is QPIRDEYWQSUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.H2/c1-4-16-14-8-10-17(11-9-14)15(18)7-5-6-12-19-13(2)3;/h13-14,16H,4-12H2,1-3H3;1H.
What are the key properties of 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen?
1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen has a molecular weight of 272.43 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen is sourced from PubChem (CID 166466880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).