[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone

C13H17FN2O — CID 55210990

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)13(17)16-8-2-1-3-12(16)9-15/h4-7,12H,1-3,8-9,15H2
InChIKeyIODCAZGGWIKBBA-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.78
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 55210990) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID55210990
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESNCC1CCCCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)13(17)16-8-2-1-3-12(16)9-15/h4-7,12H,1-3,8-9,15H2
InChIKeyIODCAZGGWIKBBA-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone
CID 40620751
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(bromomethyl)azepan-1-yl]-(4-fluorophenyl)methanone
CID 116639648
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione;hydrochloride
CID 119468463
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[2-(aminomethyl)azepan-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 116639899
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 55210990) is [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is NCC1CCCCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is IODCAZGGWIKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-6-4-10(5-7-11)13(17)16-8-2-1-3-12(16)9-15/h4-7,12H,1-3,8-9,15H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 55210990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).