1-(3-aminopropyl)piperidin-3-one;hydrochloride

C8H17ClN2O — CID 115019257

IUPAC1-(3-aminopropyl)piperidin-3-one;hydrochloride
SMILESCl.NCCCN1CCCC(=O)C1
InChIInChI=1S/C8H16N2O.ClH/c9-4-2-6-10-5-1-3-8(11)7-10;/h1-7,9H2;1H
InChIKeyVCHFTJGRLVHLJD-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.42
Rot. Bonds3

About 1-(3-aminopropyl)piperidin-3-one;hydrochloride

1-(3-aminopropyl)piperidin-3-one;hydrochloride (PubChem CID 115019257) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-(3-aminopropyl)piperidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)piperidin-3-one;hydrochloride
PubChem CID115019257
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-(3-aminopropyl)piperidin-3-one;hydrochloride
SMILESCl.NCCCN1CCCC(=O)C1
InChIInChI=1S/C8H16N2O.ClH/c9-4-2-6-10-5-1-3-8(11)7-10;/h1-7,9H2;1H
InChIKeyVCHFTJGRLVHLJD-UHFFFAOYSA-N
XLogP0.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)piperidin-3-one;hydrochloride?
The IUPAC name of 1-(3-aminopropyl)piperidin-3-one;hydrochloride (CID 115019257) is 1-(3-aminopropyl)piperidin-3-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)piperidin-3-one;hydrochloride?
The canonical SMILES for 1-(3-aminopropyl)piperidin-3-one;hydrochloride is Cl.NCCCN1CCCC(=O)C1.
What is the InChIKey of 1-(3-aminopropyl)piperidin-3-one;hydrochloride?
The InChIKey is VCHFTJGRLVHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c9-4-2-6-10-5-1-3-8(11)7-10;/h1-7,9H2;1H.
What are the key properties of 1-(3-aminopropyl)piperidin-3-one;hydrochloride?
1-(3-aminopropyl)piperidin-3-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)piperidin-3-one;hydrochloride is sourced from PubChem (CID 115019257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).