1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

C15H21FN2O — CID 63596909

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCC(N)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)13-5-7-18(8-6-13)15(19)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,17H2,1H3
InChIKeyVNTSTLOPZRRYKU-UHFFFAOYSA-N
MW264.34 g/mol
LogP1.95
Rot. Bonds3

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 63596909) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID63596909
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCC(N)C1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H21FN2O/c1-11(17)13-5-7-18(8-6-13)15(19)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,17H2,1H3
InChIKeyVNTSTLOPZRRYKU-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
4-[4-(1-aminoethyl)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119517719
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
ethyl N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]carbamate
CID 47906774
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 63596377
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 63596909) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is CC(N)C1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is VNTSTLOPZRRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(17)13-5-7-18(8-6-13)15(19)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10,17H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 264.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 63596909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).