1,3,4-trimethyl-5-propylpiperidine

C11H23N — CID 166940604

IUPAC1,3,4-trimethyl-5-propylpiperidine
SMILESCCCC1CN(C)CC(C)C1C
InChIInChI=1S/C11H23N/c1-5-6-11-8-12(4)7-9(2)10(11)3/h9-11H,5-8H2,1-4H3
InChIKeySAEDUEFAFQQNMB-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.62
Rot. Bonds2

About 1,3,4-trimethyl-5-propylpiperidine

1,3,4-trimethyl-5-propylpiperidine (PubChem CID 166940604) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-propylpiperidine.

Molecular Properties

Compound Name1,3,4-trimethyl-5-propylpiperidine
PubChem CID166940604
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,3,4-trimethyl-5-propylpiperidine
SMILESCCCC1CN(C)CC(C)C1C
InChIInChI=1S/C11H23N/c1-5-6-11-8-12(4)7-9(2)10(11)3/h9-11H,5-8H2,1-4H3
InChIKeySAEDUEFAFQQNMB-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-propylpiperidine?
The IUPAC name of 1,3,4-trimethyl-5-propylpiperidine (CID 166940604) is 1,3,4-trimethyl-5-propylpiperidine.
What is the SMILES notation for 1,3,4-trimethyl-5-propylpiperidine?
The canonical SMILES for 1,3,4-trimethyl-5-propylpiperidine is CCCC1CN(C)CC(C)C1C.
What is the InChIKey of 1,3,4-trimethyl-5-propylpiperidine?
The InChIKey is SAEDUEFAFQQNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-6-11-8-12(4)7-9(2)10(11)3/h9-11H,5-8H2,1-4H3.
What are the key properties of 1,3,4-trimethyl-5-propylpiperidine?
1,3,4-trimethyl-5-propylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-propylpiperidine is sourced from PubChem (CID 166940604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).