4-(5-ethyl-2-propan-2-ylphenyl)piperidine

C16H25N — CID 117335152

IUPAC4-(5-ethyl-2-propan-2-ylphenyl)piperidine
SMILESCCc1ccc(C(C)C)c(C2CCNCC2)c1
InChIInChI=1S/C16H25N/c1-4-13-5-6-15(12(2)3)16(11-13)14-7-9-17-10-8-14/h5-6,11-12,14,17H,4,7-10H2,1-3H3
InChIKeyNNHDVJSTRRKVSO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.84
Rot. Bonds3

About 4-(5-ethyl-2-propan-2-ylphenyl)piperidine

4-(5-ethyl-2-propan-2-ylphenyl)piperidine (PubChem CID 117335152) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-(5-ethyl-2-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4-(5-ethyl-2-propan-2-ylphenyl)piperidine
PubChem CID117335152
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-(5-ethyl-2-propan-2-ylphenyl)piperidine
SMILESCCc1ccc(C(C)C)c(C2CCNCC2)c1
InChIInChI=1S/C16H25N/c1-4-13-5-6-15(12(2)3)16(11-13)14-7-9-17-10-8-14/h5-6,11-12,14,17H,4,7-10H2,1-3H3
InChIKeyNNHDVJSTRRKVSO-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)piperidine?
The IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)piperidine (CID 117335152) is 4-(5-ethyl-2-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4-(5-ethyl-2-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4-(5-ethyl-2-propan-2-ylphenyl)piperidine is CCc1ccc(C(C)C)c(C2CCNCC2)c1.
What is the InChIKey of 4-(5-ethyl-2-propan-2-ylphenyl)piperidine?
The InChIKey is NNHDVJSTRRKVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13-5-6-15(12(2)3)16(11-13)14-7-9-17-10-8-14/h5-6,11-12,14,17H,4,7-10H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-propan-2-ylphenyl)piperidine?
4-(5-ethyl-2-propan-2-ylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117335152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).