1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone

C14H28N2O2 — CID 119517006

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-10-18-11-14(17)16-8-6-13(7-9-16)12(2)15/h12-13H,3-11,15H2,1-2H3
InChIKeyDUTDEIWYWQVKOW-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds7

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone

1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone (PubChem CID 119517006) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
PubChem CID119517006
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
SMILESCCCCCOCC(=O)N1CCC(C(C)N)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-5-10-18-11-14(17)16-8-6-13(7-9-16)12(2)15/h12-13H,3-11,15H2,1-2H3
InChIKeyDUTDEIWYWQVKOW-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
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

2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
CID 127267487
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
1-[4-(difluoromethylidene)piperidin-1-yl]-2-pentoxyethanone
CID 126833755
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(dipropylamino)butan-1-one;dihydrochloride
CID 119518214
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 103975895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone (CID 119517006) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone is CCCCCOCC(=O)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone?
The InChIKey is DUTDEIWYWQVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-5-10-18-11-14(17)16-8-6-13(7-9-16)12(2)15/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone has a molecular weight of 256.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone is sourced from PubChem (CID 119517006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).