6-piperidin-1-ylhexan-3-one;hydrochloride

C11H22ClNO — CID 175565932

IUPAC6-piperidin-1-ylhexan-3-one;hydrochloride
SMILESCCC(=O)CCCN1CCCCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-11(13)7-6-10-12-8-4-3-5-9-12;/h2-10H2,1H3;1H
InChIKeySLBXWYGMODGPPF-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.65
Rot. Bonds5

About 6-piperidin-1-ylhexan-3-one;hydrochloride

6-piperidin-1-ylhexan-3-one;hydrochloride (PubChem CID 175565932) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 6-piperidin-1-ylhexan-3-one;hydrochloride.

Molecular Properties

Compound Name6-piperidin-1-ylhexan-3-one;hydrochloride
PubChem CID175565932
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name6-piperidin-1-ylhexan-3-one;hydrochloride
SMILESCCC(=O)CCCN1CCCCC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-11(13)7-6-10-12-8-4-3-5-9-12;/h2-10H2,1H3;1H
InChIKeySLBXWYGMODGPPF-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
6-[4-(2-methylpropyl)piperazin-1-yl]hexan-3-one
CID 106801418
6-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]hexan-3-one
CID 112737680
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
methyl 4-(azocan-1-yl)butanoate
CID 43377737
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
1-tetradecylpiperidine;hydrochloride
CID 71325293
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801203
acetic acid;1-nonylpiperidine
CID 175874764
6-(3-hydroxy-3-methylpyrrolidin-1-yl)hexan-3-one
CID 106801627
11-(4-methoxypiperidin-1-yl)undecan-3-one
CID 171786440
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylhexan-3-one;hydrochloride?
The IUPAC name of 6-piperidin-1-ylhexan-3-one;hydrochloride (CID 175565932) is 6-piperidin-1-ylhexan-3-one;hydrochloride.
What is the SMILES notation for 6-piperidin-1-ylhexan-3-one;hydrochloride?
The canonical SMILES for 6-piperidin-1-ylhexan-3-one;hydrochloride is CCC(=O)CCCN1CCCCC1.Cl.
What is the InChIKey of 6-piperidin-1-ylhexan-3-one;hydrochloride?
The InChIKey is SLBXWYGMODGPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-2-11(13)7-6-10-12-8-4-3-5-9-12;/h2-10H2,1H3;1H.
What are the key properties of 6-piperidin-1-ylhexan-3-one;hydrochloride?
6-piperidin-1-ylhexan-3-one;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylhexan-3-one;hydrochloride is sourced from PubChem (CID 175565932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).