[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

C15H21FN2O — CID 63765748

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCC(CCN)C1
InChIInChI=1S/C15H21FN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-2-3-12(10-18)6-7-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3
InChIKeyXDOOTZYEYMHTFQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone

[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 63765748) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID63765748
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCCC(CCN)C1
InChIInChI=1S/C15H21FN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-2-3-12(10-18)6-7-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3
InChIKeyXDOOTZYEYMHTFQ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
(5-fluoro-2-methylphenyl)-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96572024
[3-(2-aminoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone;hydrochloride
CID 120727536
[3-(2-aminoethyl)piperidin-1-yl]-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 117044955
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
[3-(2-aminoethyl)piperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 63765932
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
[3-(2-aminoethyl)piperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884020

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone (CID 63765748) is [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)N1CCCC(CCN)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is XDOOTZYEYMHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-4-5-13(16)9-14(11)15(19)18-8-2-3-12(10-18)6-7-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone?
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.34, 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]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 63765748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).