5-piperidin-1-ylpentyl methanesulfonate;hydrochloride

C11H24ClNO3S — CID 169498086

IUPAC5-piperidin-1-ylpentyl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OCCCCCN1CCCCC1.Cl
InChIInChI=1S/C11H23NO3S.ClH/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12;/h2-11H2,1H3;1H
InChIKeyQVCCZGMEJKUZBP-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.04
Rot. Bonds7

About 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride

5-piperidin-1-ylpentyl methanesulfonate;hydrochloride (PubChem CID 169498086) has the molecular formula C11H24ClNO3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride.

Molecular Properties

Compound Name5-piperidin-1-ylpentyl methanesulfonate;hydrochloride
PubChem CID169498086
Molecular FormulaC11H24ClNO3S
Molecular Weight285.84 g/mol
Exact Mass285.12
IUPAC Name5-piperidin-1-ylpentyl methanesulfonate;hydrochloride
SMILESCS(=O)(=O)OCCCCCN1CCCCC1.Cl
InChIInChI=1S/C11H23NO3S.ClH/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12;/h2-11H2,1H3;1H
InChIKeyQVCCZGMEJKUZBP-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.04
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'}

Analyze 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanesulfonic Acid 3-piperidin-1-yl-propyl ester
CID 54537902
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
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
2-(1-Methylpiperidin-1-ium-1-yl)ethyl methanesulfonate
CID 137445661
4-(1-Ethylpiperidin-1-ium-1-yl)but-2-ynyl methanesulfonate
CID 137448412

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride?
The IUPAC name of 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride (CID 169498086) is 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride.
What is the SMILES notation for 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride?
The canonical SMILES for 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride is CS(=O)(=O)OCCCCCN1CCCCC1.Cl.
What is the InChIKey of 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride?
The InChIKey is QVCCZGMEJKUZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S.ClH/c1-16(13,14)15-11-7-3-6-10-12-8-4-2-5-9-12;/h2-11H2,1H3;1H.
What are the key properties of 5-piperidin-1-ylpentyl methanesulfonate;hydrochloride?
5-piperidin-1-ylpentyl methanesulfonate;hydrochloride has a molecular weight of 285.84 g/mol, XLogP of 2.04, 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;hydrochloride is sourced from PubChem (CID 169498086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).