3-piperidin-1-ylpropanoyl chloride;hydrochloride

C8H15Cl2NO — CID 87714675

IUPAC3-piperidin-1-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCN1CCCCC1
InChIInChI=1S/C8H14ClNO.ClH/c9-8(11)4-7-10-5-2-1-3-6-10;/h1-7H2;1H
InChIKeyIVWPVAYFLMJJOS-UHFFFAOYSA-N
MW212.12 g/mol
LogP2.05
Rot. Bonds3

About 3-piperidin-1-ylpropanoyl chloride;hydrochloride

3-piperidin-1-ylpropanoyl chloride;hydrochloride (PubChem CID 87714675) has the molecular formula C8H15Cl2NO and a molecular weight of 212.12 g/mol. Its IUPAC name is 3-piperidin-1-ylpropanoyl chloride;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropanoyl chloride;hydrochloride
PubChem CID87714675
Molecular FormulaC8H15Cl2NO
Molecular Weight212.12 g/mol
Exact Mass211.05
IUPAC Name3-piperidin-1-ylpropanoyl chloride;hydrochloride
SMILESCl.O=C(Cl)CCN1CCCCC1
InChIInChI=1S/C8H14ClNO.ClH/c9-8(11)4-7-10-5-2-1-3-6-10;/h1-7H2;1H
InChIKeyIVWPVAYFLMJJOS-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 161275938
1,3-bis(azepan-1-yl)propan-1-one
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methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
6-piperidin-1-ylhexan-3-one;hydrochloride
CID 175565932
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
N,N-diethyl-3-piperidin-1-ylpropanamide
CID 110688324
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
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1,1,1-trifluoro-4-pyrrolidin-1-ylbutan-2-one
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N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropanoyl chloride;hydrochloride?
The IUPAC name of 3-piperidin-1-ylpropanoyl chloride;hydrochloride (CID 87714675) is 3-piperidin-1-ylpropanoyl chloride;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropanoyl chloride;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropanoyl chloride;hydrochloride is Cl.O=C(Cl)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpropanoyl chloride;hydrochloride?
The InChIKey is IVWPVAYFLMJJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO.ClH/c9-8(11)4-7-10-5-2-1-3-6-10;/h1-7H2;1H.
What are the key properties of 3-piperidin-1-ylpropanoyl chloride;hydrochloride?
3-piperidin-1-ylpropanoyl chloride;hydrochloride has a molecular weight of 212.12 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropanoyl chloride;hydrochloride is sourced from PubChem (CID 87714675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).