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

C17H26N2O2 — CID 82354475

IUPAC1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESNCCC1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c18-12-11-15-7-4-5-13-19(15)17(20)10-6-14-21-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,18H2
InChIKeyFYEFTAOIVCHMLI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds7

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

1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one (PubChem CID 82354475) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
PubChem CID82354475
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
SMILESNCCC1CCCCN1C(=O)CCCOc1ccccc1
InChIInChI=1S/C17H26N2O2/c18-12-11-15-7-4-5-13-19(15)17(20)10-6-14-21-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,18H2
InChIKeyFYEFTAOIVCHMLI-UHFFFAOYSA-N
XLogP2.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 80676124
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
3-amino-N-[[1-[4-(4-fluorophenoxy)butanoyl]piperidin-2-yl]methyl]propanamide
CID 120579145
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one
CID 119469736
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-8-phenoxyoctane-1,5-dione
CID 158776453
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-bromophenoxy)butan-1-one;hydrochloride
CID 119632862
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one (CID 82354475) is 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one is NCCC1CCCCN1C(=O)CCCOc1ccccc1.
What is the InChIKey of 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
The InChIKey is FYEFTAOIVCHMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-12-11-15-7-4-5-13-19(15)17(20)10-6-14-21-16-8-2-1-3-9-16/h1-3,8-9,15H,4-7,10-14,18H2.
What are the key properties of 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one?
1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one is sourced from PubChem (CID 82354475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).