1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one

C14H20N2O — CID 122412871

IUPAC1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC[C@H](N)C2)c1
InChIInChI=1S/C14H20N2O/c1-2-14(17)11-5-3-7-13(9-11)16-8-4-6-12(15)10-16/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3/t12-/m0/s1
InChIKeyZEUCOUBMAAEIRN-LBPRGKRZSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds3

About 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one

1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one (PubChem CID 122412871) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
PubChem CID122412871
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(N2CCC[C@H](N)C2)c1
InChIInChI=1S/C14H20N2O/c1-2-14(17)11-5-3-7-13(9-11)16-8-4-6-12(15)10-16/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3/t12-/m0/s1
InChIKeyZEUCOUBMAAEIRN-LBPRGKRZSA-N
XLogP2.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one (CID 122412871) is 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one is CCC(=O)c1cccc(N2CCC[C@H](N)C2)c1.
What is the InChIKey of 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one?
The InChIKey is ZEUCOUBMAAEIRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-14(17)11-5-3-7-13(9-11)16-8-4-6-12(15)10-16/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3/t12-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one?
1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 122412871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).