1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone

C13H26N2O2 — CID 25219591

IUPAC1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-10-4-7-14-13-5-8-15(9-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3
InChIKeyQJBGNPSVQUTSKJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone

1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone (PubChem CID 25219591) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
PubChem CID25219591
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCCOC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)17-10-4-7-14-13-5-8-15(9-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3
InChIKeyQJBGNPSVQUTSKJ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
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-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
CID 115574825
1-[4-[3-(2-hydroxyethoxy)propylamino]piperidin-1-yl]ethanone
CID 103992533
1-[4-(3-cyclohexyloxypropylamino)piperidin-1-yl]ethanone
CID 43225558
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
1-[4-(ethylamino)piperidin-1-yl]-5-propan-2-yloxypentan-1-one;molecular hydrogen
CID 166466880
1-[4-(4-methylsulfanylbutylamino)piperidin-1-yl]ethanone
CID 115639158
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone (CID 25219591) is 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCCOC(C)C)CC1.
What is the InChIKey of 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone?
The InChIKey is QJBGNPSVQUTSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)17-10-4-7-14-13-5-8-15(9-6-13)12(3)16/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone?
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 25219591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).