1-aminopropan-2-one;3-methylpiperidine

C9H20N2O — CID 19878374

IUPAC1-aminopropan-2-one;3-methylpiperidine
SMILESCC(=O)CN.CC1CCCNC1
InChIInChI=1S/C6H13N.C3H7NO/c1-6-3-2-4-7-5-6;1-3(5)2-4/h6-7H,2-5H2,1H3;2,4H2,1H3
InChIKeyGRXLEUKTCKWKHU-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.54
Rot. Bonds1

About 1-aminopropan-2-one;3-methylpiperidine

1-aminopropan-2-one;3-methylpiperidine (PubChem CID 19878374) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-aminopropan-2-one;3-methylpiperidine.

Molecular Properties

Compound Name1-aminopropan-2-one;3-methylpiperidine
PubChem CID19878374
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-aminopropan-2-one;3-methylpiperidine
SMILESCC(=O)CN.CC1CCCNC1
InChIInChI=1S/C6H13N.C3H7NO/c1-6-3-2-4-7-5-6;1-3(5)2-4/h6-7H,2-5H2,1H3;2,4H2,1H3
InChIKeyGRXLEUKTCKWKHU-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-one;3-methylpiperidine?
The IUPAC name of 1-aminopropan-2-one;3-methylpiperidine (CID 19878374) is 1-aminopropan-2-one;3-methylpiperidine.
What is the SMILES notation for 1-aminopropan-2-one;3-methylpiperidine?
The canonical SMILES for 1-aminopropan-2-one;3-methylpiperidine is CC(=O)CN.CC1CCCNC1.
What is the InChIKey of 1-aminopropan-2-one;3-methylpiperidine?
The InChIKey is GRXLEUKTCKWKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H7NO/c1-6-3-2-4-7-5-6;1-3(5)2-4/h6-7H,2-5H2,1H3;2,4H2,1H3.
What are the key properties of 1-aminopropan-2-one;3-methylpiperidine?
1-aminopropan-2-one;3-methylpiperidine has a molecular weight of 172.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-one;3-methylpiperidine is sourced from PubChem (CID 19878374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).