[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone

C14H18F2N2O — CID 63595679

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-9(17)10-4-6-18(7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8-10H,4-7,17H2,1H3
InChIKeyWHKJNNKETXTTPG-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 63595679) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID63595679
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H18F2N2O/c1-9(17)10-4-6-18(7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8-10H,4-7,17H2,1H3
InChIKeyWHKJNNKETXTTPG-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119594478
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
[4-(1-aminoethyl)piperidin-1-yl]-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 119517185
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (CID 63595679) is [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is CC(N)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is WHKJNNKETXTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-9(17)10-4-6-18(7-5-10)14(19)12-3-2-11(15)8-13(12)16/h2-3,8-10H,4-7,17H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 268.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 63595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).