6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide

C12H26BrNO — CID 89439291

IUPAC6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide
SMILESC[N+]1(CCCCCCO)CCCCC1.[Br-]
InChIInChI=1S/C12H26NO.BrH/c1-13(10-6-4-7-11-13)9-5-2-3-8-12-14;/h14H,2-12H2,1H3;1H/q+1;/p-1
InChIKeyYLSQWPNISFUKHW-UHFFFAOYSA-M
MW280.25 g/mol
LogP-0.83
Rot. Bonds6

About 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide

6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide (PubChem CID 89439291) has the molecular formula C12H26BrNO and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide.

Molecular Properties

Compound Name6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide
PubChem CID89439291
Molecular FormulaC12H26BrNO
Molecular Weight280.25 g/mol
Exact Mass279.12
IUPAC Name6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide
SMILESC[N+]1(CCCCCCO)CCCCC1.[Br-]
InChIInChI=1S/C12H26NO.BrH/c1-13(10-6-4-7-11-13)9-5-2-3-8-12-14;/h14H,2-12H2,1H3;1H/q+1;/p-1
InChIKeyYLSQWPNISFUKHW-UHFFFAOYSA-M
XLogP-0.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

10-(1-methylpiperidin-1-ium-1-yl)decan-1-ol
CID 89438831
4-(1-methylpyrrolidin-1-ium-1-yl)butan-1-ol
CID 68798681
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
CID 3048054
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-[6-(1-methylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium dihydroxide
CID 156717813
1-hexadecyl-1-methylazocan-1-ium bromide
CID 44612945
2-(1-methylpyrrolidin-1-ium-1-yl)ethanol iodide
CID 10539047
9-(1-methylpyrrolidin-1-ium-1-yl)nonane-1-thiol
CID 118937449
1-methyl-1-[6-[4-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]phenyl]hexyl]piperidin-1-ium dibromide
CID 19907440
5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol
CID 155168800
1,1-diethylpyrrolidin-1-ium;1-ethyl-1-[6-(1-ethylpiperidin-1-ium-1-yl)hexyl]piperidin-1-ium;1-ethyl-1-[5-(1-methylpiperidin-1-ium-1-yl)pentyl]piperidin-1-ium
CID 158691923

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide?
The IUPAC name of 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide (CID 89439291) is 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide.
What is the SMILES notation for 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide?
The canonical SMILES for 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide is C[N+]1(CCCCCCO)CCCCC1.[Br-].
What is the InChIKey of 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide?
The InChIKey is YLSQWPNISFUKHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26NO.BrH/c1-13(10-6-4-7-11-13)9-5-2-3-8-12-14;/h14H,2-12H2,1H3;1H/q+1;/p-1.
What are the key properties of 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide?
6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide has a molecular weight of 280.25 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide is sourced from PubChem (CID 89439291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).