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

C9H19ClN2O — CID 56831835

IUPAC3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-8-3-2-6-11(7-8)9(12)4-5-10;/h8H,2-7,10H2,1H3;1H
InChIKeySKQOHRMFXORYOW-UHFFFAOYSA-N
MW206.72 g/mol
LogP1.02
Rot. Bonds2

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

3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 56831835) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID56831835
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCCN(C(=O)CCN)C1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-8-3-2-6-11(7-8)9(12)4-5-10;/h8H,2-7,10H2,1H3;1H
InChIKeySKQOHRMFXORYOW-UHFFFAOYSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.02
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;hydrochloride?
The IUPAC name of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride (CID 56831835) is 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride is CC1CCCN(C(=O)CCN)C1.Cl.
What is the InChIKey of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is SKQOHRMFXORYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-8-3-2-6-11(7-8)9(12)4-5-10;/h8H,2-7,10H2,1H3;1H.
What are the key properties of 3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride?
3-amino-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.02, 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;hydrochloride is sourced from PubChem (CID 56831835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).