2-[3-(trimethoxymethyl)undecyl]piperidine

C20H41NO3 — CID 150344877

IUPAC2-[3-(trimethoxymethyl)undecyl]piperidine
SMILESCCCCCCCCC(CCC1CCCCN1)C(OC)(OC)OC
InChIInChI=1S/C20H41NO3/c1-5-6-7-8-9-10-13-18(20(22-2,23-3)24-4)15-16-19-14-11-12-17-21-19/h18-19,21H,5-17H2,1-4H3
InChIKeyGSMBQRWJHLPIOR-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.87
Rot. Bonds14

About 2-[3-(trimethoxymethyl)undecyl]piperidine

2-[3-(trimethoxymethyl)undecyl]piperidine (PubChem CID 150344877) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is 2-[3-(trimethoxymethyl)undecyl]piperidine.

Molecular Properties

Compound Name2-[3-(trimethoxymethyl)undecyl]piperidine
PubChem CID150344877
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name2-[3-(trimethoxymethyl)undecyl]piperidine
SMILESCCCCCCCCC(CCC1CCCCN1)C(OC)(OC)OC
InChIInChI=1S/C20H41NO3/c1-5-6-7-8-9-10-13-18(20(22-2,23-3)24-4)15-16-19-14-11-12-17-21-19/h18-19,21H,5-17H2,1-4H3
InChIKeyGSMBQRWJHLPIOR-UHFFFAOYSA-N
XLogP4.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trimethoxymethyl)undecyl]piperidine?
The IUPAC name of 2-[3-(trimethoxymethyl)undecyl]piperidine (CID 150344877) is 2-[3-(trimethoxymethyl)undecyl]piperidine.
What is the SMILES notation for 2-[3-(trimethoxymethyl)undecyl]piperidine?
The canonical SMILES for 2-[3-(trimethoxymethyl)undecyl]piperidine is CCCCCCCCC(CCC1CCCCN1)C(OC)(OC)OC.
What is the InChIKey of 2-[3-(trimethoxymethyl)undecyl]piperidine?
The InChIKey is GSMBQRWJHLPIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-5-6-7-8-9-10-13-18(20(22-2,23-3)24-4)15-16-19-14-11-12-17-21-19/h18-19,21H,5-17H2,1-4H3.
What are the key properties of 2-[3-(trimethoxymethyl)undecyl]piperidine?
2-[3-(trimethoxymethyl)undecyl]piperidine has a molecular weight of 343.55 g/mol, XLogP of 4.87, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trimethoxymethyl)undecyl]piperidine is sourced from PubChem (CID 150344877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).