1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one

C17H26N2O2 — CID 119434457

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(18)16-10-5-6-12-19(16)17(20)11-7-13-21-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3
InChIKeyXQDCNGLKMUXSLU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds6

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

1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one (PubChem CID 119434457) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
PubChem CID119434457
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(18)16-10-5-6-12-19(16)17(20)11-7-13-21-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3
InChIKeyXQDCNGLKMUXSLU-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
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-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119435438
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119437699
1-[2-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119435582
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 119435548
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119437566
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one;hydrochloride
CID 119437669
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
4-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119435674
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119437112
1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 82354475
1-[2-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119437418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one (CID 119434457) is 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one is CC(N)C1CCCCN1C(=O)CCCOc1ccccc1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is XQDCNGLKMUXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(18)16-10-5-6-12-19(16)17(20)11-7-13-21-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 119434457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).