1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone

C18H28N2O — CID 43745968

IUPAC1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCCCc1ccc(C(C)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-5-16-6-8-17(9-7-16)14(2)19-18-10-12-20(13-11-18)15(3)21/h6-9,14,18-19H,4-5,10-13H2,1-3H3
InChIKeyPGDHJSXKZHGZII-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.30
Rot. Bonds5

About 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43745968) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43745968
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone
SMILESCCCc1ccc(C(C)NC2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-4-5-16-6-8-17(9-7-16)14(2)19-18-10-12-20(13-11-18)15(3)21/h6-9,14,18-19H,4-5,10-13H2,1-3H3
InChIKeyPGDHJSXKZHGZII-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-[1-(4-propylphenyl)ethyl]cyclopent-3-en-1-amine
CID 115728433
N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
N-[1-(4-propylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107849918
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024
ethyl 4-[1-(4-iodophenyl)ethylamino]piperidine-1-carboxylate
CID 43766193
1-[4-[1-(3-chloro-4-fluorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43745931

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone (CID 43745968) is 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone is CCCc1ccc(C(C)NC2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is PGDHJSXKZHGZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-16-6-8-17(9-7-16)14(2)19-18-10-12-20(13-11-18)15(3)21/h6-9,14,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 288.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-propylphenyl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43745968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).