piperidin-4-yl methanesulfonate;hydrochloride

C6H14ClNO3S — CID 71758533

IUPACpiperidin-4-yl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OC1CCNCC1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11(8,9)10-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyZHOUOLDAWUQSJO-UHFFFAOYSA-N
MW215.70 g/mol
LogP0.14
Rot. Bonds2

About piperidin-4-yl methanesulfonate;hydrochloride

piperidin-4-yl methanesulfonate;hydrochloride (PubChem CID 71758533) has the molecular formula C6H14ClNO3S and a molecular weight of 215.70 g/mol. Its IUPAC name is piperidin-4-yl methanesulfonate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl methanesulfonate;hydrochloride
PubChem CID71758533
Molecular FormulaC6H14ClNO3S
Molecular Weight215.70 g/mol
Exact Mass215.04
IUPAC Namepiperidin-4-yl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OC1CCNCC1.Cl
InChIInChI=1S/C6H13NO3S.ClH/c1-11(8,9)10-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyZHOUOLDAWUQSJO-UHFFFAOYSA-N
XLogP0.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

azetidin-3-yl methanesulfonate
CID 7330605
piperidin-3-yl methanesulfonate
CID 121321387
(1,5-dimethyl-3-bicyclo[3.1.1]heptanyl) methanesulfonate
CID 141088256
(1-methylpiperidin-1-ium-4-yl) methanesulfonate
CID 4190680
methylsulfonyl piperidine-4-carboxylate
CID 87607716
[(3R,4R)-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate
CID 54191195
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166
(4-methylsulfonyloxypyrrolidin-3-yl) methanesulfonate
CID 13329888
O-piperidin-4-ylhydroxylamine;dihydrochloride
CID 10313449
(1-bromoazetidin-3-yl) methanesulfonate
CID 171762595
(3-methoxycyclobutyl) methanesulfonate
CID 106822816
(4-butylcyclohexyl) methanesulfonate
CID 118246172

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl methanesulfonate;hydrochloride?
The IUPAC name of piperidin-4-yl methanesulfonate;hydrochloride (CID 71758533) is piperidin-4-yl methanesulfonate;hydrochloride.
What is the SMILES notation for piperidin-4-yl methanesulfonate;hydrochloride?
The canonical SMILES for piperidin-4-yl methanesulfonate;hydrochloride is CS(=O)(=O)OC1CCNCC1.Cl.
What is the InChIKey of piperidin-4-yl methanesulfonate;hydrochloride?
The InChIKey is ZHOUOLDAWUQSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.ClH/c1-11(8,9)10-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of piperidin-4-yl methanesulfonate;hydrochloride?
piperidin-4-yl methanesulfonate;hydrochloride has a molecular weight of 215.70 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl methanesulfonate;hydrochloride is sourced from PubChem (CID 71758533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).