1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid

C14H23NO4S — CID 87886924

IUPAC1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
SMILESCC1CCN(Cc2ccccc2)CC1O.CS(=O)(=O)O
InChIInChI=1S/C13H19NO.CH4O3S/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;1-5(2,3)4/h2-6,11,13,15H,7-10H2,1H3;1H3,(H,2,3,4)
InChIKeyGVMBTZQTQOIHMM-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.39
Rot. Bonds2

About 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid

1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid (PubChem CID 87886924) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
PubChem CID87886924
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
SMILESCC1CCN(Cc2ccccc2)CC1O.CS(=O)(=O)O
InChIInChI=1S/C13H19NO.CH4O3S/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;1-5(2,3)4/h2-6,11,13,15H,7-10H2,1H3;1H3,(H,2,3,4)
InChIKeyGVMBTZQTQOIHMM-UHFFFAOYSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-benzylpiperidin-3-ol;methanesulfonic acid
CID 87886943
1-benzyl-5-methyl-4-nitroazepan-3-ol
CID 11680540
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
2-[4-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 102959361
1-[(1-benzyltetrazol-5-yl)methyl]-4-methylpiperidin-3-ol
CID 103898432
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid?
The IUPAC name of 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid (CID 87886924) is 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid.
What is the SMILES notation for 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid?
The canonical SMILES for 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid is CC1CCN(Cc2ccccc2)CC1O.CS(=O)(=O)O.
What is the InChIKey of 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid?
The InChIKey is GVMBTZQTQOIHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.CH4O3S/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12;1-5(2,3)4/h2-6,11,13,15H,7-10H2,1H3;1H3,(H,2,3,4).
What are the key properties of 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid?
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid has a molecular weight of 301.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid is sourced from PubChem (CID 87886924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).