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

C14H19FN2O — CID 63767654

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c15-13-5-1-4-12(9-13)14(18)17-8-2-3-11(10-17)6-7-16/h1,4-5,9,11H,2-3,6-8,10,16H2
InChIKeyFPLWTJQVPBWRHT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.03
Rot. Bonds3

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

[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 63767654) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
PubChem CID63767654
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
SMILESNCCC1CCCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O/c15-13-5-1-4-12(9-13)14(18)17-8-2-3-11(10-17)6-7-16/h1,4-5,9,11H,2-3,6-8,10,16H2
InChIKeyFPLWTJQVPBWRHT-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839
(3-fluorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746310
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone;dihydrochloride
CID 120727478
[3-(2-aminoethyl)piperidin-1-yl]-(3-nitrophenyl)methanone;hydrochloride
CID 120727457
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone (CID 63767654) is [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone is NCCC1CCCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is FPLWTJQVPBWRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-5-1-4-12(9-13)14(18)17-8-2-3-11(10-17)6-7-16/h1,4-5,9,11H,2-3,6-8,10,16H2.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 250.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 63767654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).