(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one

C12H15FN2O — CID 124634458

IUPAC(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
SMILESNCc1ccc([C@H]2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-5-8(7-14)1-2-10(11)9-3-4-15-12(16)6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)/t9-/m0/s1
InChIKeyNYUAPMKQWIFBOX-VIFPVBQESA-N
MW222.26 g/mol
LogP1.28
Rot. Bonds2

About (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one

(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one (PubChem CID 124634458) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
PubChem CID124634458
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one
SMILESNCc1ccc([C@H]2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C12H15FN2O/c13-11-5-8(7-14)1-2-10(11)9-3-4-15-12(16)6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)/t9-/m0/s1
InChIKeyNYUAPMKQWIFBOX-VIFPVBQESA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one?
The IUPAC name of (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one (CID 124634458) is (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one.
What is the SMILES notation for (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one?
The canonical SMILES for (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one is NCc1ccc([C@H]2CCNC(=O)C2)c(F)c1.
What is the InChIKey of (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one?
The InChIKey is NYUAPMKQWIFBOX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O/c13-11-5-8(7-14)1-2-10(11)9-3-4-15-12(16)6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one?
(4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-one is sourced from PubChem (CID 124634458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).