5-piperidin-1-ylpentyl methanesulfonate

C11H23NO3S — CID 169498087

IUPAC5-piperidin-1-ylpentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCN1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12/h2-11H2,1H3
InChIKeyPBEMODVWUYHAOP-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.62
Rot. Bonds7

About 5-piperidin-1-ylpentyl methanesulfonate

5-piperidin-1-ylpentyl methanesulfonate (PubChem CID 169498087) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-piperidin-1-ylpentyl methanesulfonate.

Molecular Properties

Compound Name5-piperidin-1-ylpentyl methanesulfonate
PubChem CID169498087
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name5-piperidin-1-ylpentyl methanesulfonate
SMILESCS(=O)(=O)OCCCCCN1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12/h2-11H2,1H3
InChIKeyPBEMODVWUYHAOP-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methanesulfonic Acid 3-piperidin-1-yl-propyl ester
CID 54537902
3-(4-Fluoropiperidin-1-yl)propyl methanesulfonate
CID 90288942
2-Piperidin-1-ylethyl methanesulfonate
CID 44626921
(1-Pentylpiperidin-3-yl)methyl methanesulfonate
CID 53867908
(1-Methylpiperidin-3-yl)methyl methanesulfonate
CID 60006764
[(3R)-1-ethylpiperidin-3-yl]methyl methanesulfonate
CID 73011262
[(3S)-1-ethylpiperidin-3-yl]methyl methanesulfonate
CID 73011263
Methanesulfonic acid 2,2-dimethyl-3-piperidin-1-yl-propyl ester
CID 86615874
2-(1-Tert-butylpiperidin-4-yl)ethyl methanesulfonate
CID 87536902
(1-Pentylpiperidin-3-yl)methyl methanesulfonate;hydrochloride
CID 88476093
(1-Ethylpiperidin-3-yl)methyl methanesulfonate
CID 91988947
2-(1-Methylpiperidin-4-yl)ethyl methanesulfonate
CID 123976392

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentyl methanesulfonate?
The IUPAC name of 5-piperidin-1-ylpentyl methanesulfonate (CID 169498087) is 5-piperidin-1-ylpentyl methanesulfonate.
What is the SMILES notation for 5-piperidin-1-ylpentyl methanesulfonate?
The canonical SMILES for 5-piperidin-1-ylpentyl methanesulfonate is CS(=O)(=O)OCCCCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpentyl methanesulfonate?
The InChIKey is PBEMODVWUYHAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12/h2-11H2,1H3.
What are the key properties of 5-piperidin-1-ylpentyl methanesulfonate?
5-piperidin-1-ylpentyl methanesulfonate has a molecular weight of 249.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpentyl methanesulfonate is sourced from PubChem (CID 169498087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).