2-ethyl-4-heptan-4-ylpiperidine

C14H29N — CID 118569997

IUPAC2-ethyl-4-heptan-4-ylpiperidine
SMILESCCCC(CCC)C1CCNC(CC)C1
InChIInChI=1S/C14H29N/c1-4-7-12(8-5-2)13-9-10-15-14(6-3)11-13/h12-15H,4-11H2,1-3H3
InChIKeyCWZDUHSWXYRDAU-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About 2-ethyl-4-heptan-4-ylpiperidine

2-ethyl-4-heptan-4-ylpiperidine (PubChem CID 118569997) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-ethyl-4-heptan-4-ylpiperidine.

Molecular Properties

Compound Name2-ethyl-4-heptan-4-ylpiperidine
PubChem CID118569997
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-ethyl-4-heptan-4-ylpiperidine
SMILESCCCC(CCC)C1CCNC(CC)C1
InChIInChI=1S/C14H29N/c1-4-7-12(8-5-2)13-9-10-15-14(6-3)11-13/h12-15H,4-11H2,1-3H3
InChIKeyCWZDUHSWXYRDAU-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-heptan-4-ylpiperidine?
The IUPAC name of 2-ethyl-4-heptan-4-ylpiperidine (CID 118569997) is 2-ethyl-4-heptan-4-ylpiperidine.
What is the SMILES notation for 2-ethyl-4-heptan-4-ylpiperidine?
The canonical SMILES for 2-ethyl-4-heptan-4-ylpiperidine is CCCC(CCC)C1CCNC(CC)C1.
What is the InChIKey of 2-ethyl-4-heptan-4-ylpiperidine?
The InChIKey is CWZDUHSWXYRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-7-12(8-5-2)13-9-10-15-14(6-3)11-13/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-4-heptan-4-ylpiperidine?
2-ethyl-4-heptan-4-ylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-heptan-4-ylpiperidine is sourced from PubChem (CID 118569997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).