3-amino-1-(3-methylpiperidin-1-yl)propan-1-one

C9H18N2O — CID 16791721

IUPAC3-amino-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-2-6-11(7-8)9(12)4-5-10/h8H,2-7,10H2,1H3
InChIKeyTXTHAPFQRXUSHF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one

3-amino-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 16791721) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID16791721
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCN)C1
InChIInChI=1S/C9H18N2O/c1-8-3-2-6-11(7-8)9(12)4-5-10/h8H,2-7,10H2,1H3
InChIKeyTXTHAPFQRXUSHF-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one (CID 16791721) is 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCN)C1.
What is the InChIKey of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is TXTHAPFQRXUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-3-2-6-11(7-8)9(12)4-5-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one?
3-amino-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 16791721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).