1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride

C13H27ClN2O2 — CID 119560030

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
SMILESCCCCCOCC(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-4-5-10-17-11-13(16)15-8-6-12(14-2)7-9-15;/h12,14H,3-11H2,1-2H3;1H
InChIKeySVHKUCOAHGGBSI-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.83
Rot. Bonds7

About 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride

1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride (PubChem CID 119560030) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
PubChem CID119560030
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
SMILESCCCCCOCC(=O)N1CCC(NC)CC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-3-4-5-10-17-11-13(16)15-8-6-12(14-2)7-9-15;/h12,14H,3-11H2,1-2H3;1H
InChIKeySVHKUCOAHGGBSI-UHFFFAOYSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.83
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-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
CID 107937213
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
CID 127267487
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
1-[4-(difluoromethylidene)piperidin-1-yl]-2-pentoxyethanone
CID 126833755
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
CID 126837154
1-(4-ethynyl-4-hydroxypiperidin-1-yl)-2-pentoxyethanone
CID 126833813

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride (CID 119560030) is 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride is CCCCCOCC(=O)N1CCC(NC)CC1.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride?
The InChIKey is SVHKUCOAHGGBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-3-4-5-10-17-11-13(16)15-8-6-12(14-2)7-9-15;/h12,14H,3-11H2,1-2H3;1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride?
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride is sourced from PubChem (CID 119560030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).