[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone

C17H22F2N2O — CID 119519871

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O/c1-10(20)11-4-6-21(7-5-11)17(22)14-9-13(14)12-2-3-15(18)16(19)8-12/h2-3,8,10-11,13-14H,4-7,9,20H2,1H3
InChIKeyDBXRLKKLZLGFPV-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.65
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone (PubChem CID 119519871) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
PubChem CID119519871
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O/c1-10(20)11-4-6-21(7-5-11)17(22)14-9-13(14)12-2-3-15(18)16(19)8-12/h2-3,8,10-11,13-14H,4-7,9,20H2,1H3
InChIKeyDBXRLKKLZLGFPV-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
(4-aminopiperidin-1-yl)-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 100644316
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451
[(3R)-3-aminopyrrolidin-1-yl]-[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 124699536
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
[(3R)-3-aminopyrrolidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119412379
[2-(1-aminoethyl)morpholin-4-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 86813900
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[2-(3,4-difluorophenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492182

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone (CID 119519871) is [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone is CC(N)C1CCN(C(=O)C2CC2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone?
The InChIKey is DBXRLKKLZLGFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-10(20)11-4-6-21(7-5-11)17(22)14-9-13(14)12-2-3-15(18)16(19)8-12/h2-3,8,10-11,13-14H,4-7,9,20H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone has a molecular weight of 308.37 g/mol, XLogP of 2.65, 3 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-(3,4-difluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 119519871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).