1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone

C13H26N2O3 — CID 103807741

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-2-9-17-11-13(16)15-7-4-12(5-8-15)18-10-3-6-14/h12H,2-11,14H2,1H3
InChIKeyKDIOGGRQJUHALV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds8

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone (PubChem CID 103807741) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
PubChem CID103807741
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-2-9-17-11-13(16)15-7-4-12(5-8-15)18-10-3-6-14/h12H,2-11,14H2,1H3
InChIKeyKDIOGGRQJUHALV-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone;hydrochloride
CID 119664585
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[4-(3-aminopropoxy)piperidin-1-yl]-3,5-dimethylhexan-1-one;hydrochloride
CID 119663849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone (CID 103807741) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone is CCCOCC(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone?
The InChIKey is KDIOGGRQJUHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-9-17-11-13(16)15-7-4-12(5-8-15)18-10-3-6-14/h12H,2-11,14H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone has a molecular weight of 258.36 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone is sourced from PubChem (CID 103807741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).