1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium

C22H46N2+2 — CID 3048054

IUPAC1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C22H46N2/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24/h3-22H2,1-2H3/q+2
InChIKeyFVRLPRFLAPVBSW-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.37
Rot. Bonds11

About 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium

1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium (PubChem CID 3048054) has the molecular formula C22H46N2+2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
PubChem CID3048054
Molecular FormulaC22H46N2+2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium
SMILESC[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1
InChIInChI=1S/C22H46N2/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24/h3-22H2,1-2H3/q+2
InChIKeyFVRLPRFLAPVBSW-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-methyl-1-[5-(1-methylpyrrolidin-1-ium-1-yl)pentyl]pyrrolidin-1-ium bromide
CID 156595016
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
10-(1-methylpiperidin-1-ium-1-yl)decan-1-ol
CID 89438831
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
6-(1-methylpiperidin-1-ium-1-yl)hexan-1-ol bromide
CID 89439291
9-(1-methylpyrrolidin-1-ium-1-yl)nonane-1-thiol
CID 118937449
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
4-(1-methylpyrrolidin-1-ium-1-yl)butan-1-ol
CID 68798681
1-methyl-1-undecylpyrrolidin-1-ium cyanide
CID 171570218
1-methyl-1-[6-[4-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]phenyl]hexyl]piperidin-1-ium dibromide
CID 19907440

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium?
The IUPAC name of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium (CID 3048054) is 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium?
The canonical SMILES for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium is C[N+]1(CCCCCCCCCC[N+]2(C)CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium?
The InChIKey is FVRLPRFLAPVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-23(19-13-9-14-20-23)17-11-7-5-3-4-6-8-12-18-24(2)21-15-10-16-22-24/h3-22H2,1-2H3/q+2.
What are the key properties of 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium?
1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium has a molecular weight of 338.62 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[10-(1-methylpiperidin-1-ium-1-yl)decyl]piperidin-1-ium is sourced from PubChem (CID 3048054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).