[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol

C22H32GeNO+ — CID 10414518

IUPAC[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol
SMILESC[N+]1(CCC[Ge](CO)(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C22H32GeNO/c1-24(17-9-4-10-18-24)19-11-16-23(20-25,21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-3,5-8,12-15,25H,4,9-11,16-20H2,1H3/q+1
InChIKeyQCBCDZGBLFDJNF-UHFFFAOYSA-N
MW399.11 g/mol
LogP2.80
Rot. Bonds7

About [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol

[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol (PubChem CID 10414518) has the molecular formula C22H32GeNO+ and a molecular weight of 399.11 g/mol. Its IUPAC name is [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol.

Molecular Properties

Compound Name[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol
PubChem CID10414518
Molecular FormulaC22H32GeNO+
Molecular Weight399.11 g/mol
Exact Mass400.17
IUPAC Name[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol
SMILESC[N+]1(CCC[Ge](CO)(c2ccccc2)c2ccccc2)CCCCC1
InChIInChI=1S/C22H32GeNO/c1-24(17-9-4-10-18-24)19-11-16-23(20-25,21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-3,5-8,12-15,25H,4,9-11,16-20H2,1H3/q+1
InChIKeyQCBCDZGBLFDJNF-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol?
The IUPAC name of [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol (CID 10414518) is [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol.
What is the SMILES notation for [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol?
The canonical SMILES for [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol is C[N+]1(CCC[Ge](CO)(c2ccccc2)c2ccccc2)CCCCC1.
What is the InChIKey of [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol?
The InChIKey is QCBCDZGBLFDJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32GeNO/c1-24(17-9-4-10-18-24)19-11-16-23(20-25,21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-3,5-8,12-15,25H,4,9-11,16-20H2,1H3/q+1.
What are the key properties of [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol?
[3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol has a molecular weight of 399.11 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpiperidin-1-ium-1-yl)propyl-diphenylgermyl]methanol is sourced from PubChem (CID 10414518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).