1-piperidin-4-ylpropan-2-one;hydrochloride

C8H16ClNO — CID 3019491

IUPAC1-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H
InChIKeyHFRVRAMDPDHUSH-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.39
Rot. Bonds2

About 1-piperidin-4-ylpropan-2-one;hydrochloride

1-piperidin-4-ylpropan-2-one;hydrochloride (PubChem CID 3019491) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 1-piperidin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylpropan-2-one;hydrochloride
PubChem CID3019491
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name1-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)CC1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H
InChIKeyHFRVRAMDPDHUSH-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-piperidin-4-ylpropan-2-one;hydrochloride (CID 3019491) is 1-piperidin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-piperidin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-piperidin-4-ylpropan-2-one;hydrochloride is CC(=O)CC1CCNCC1.Cl.
What is the InChIKey of 1-piperidin-4-ylpropan-2-one;hydrochloride?
The InChIKey is HFRVRAMDPDHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h8-9H,2-6H2,1H3;1H.
What are the key properties of 1-piperidin-4-ylpropan-2-one;hydrochloride?
1-piperidin-4-ylpropan-2-one;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 3019491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).