4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine

C16H25N — CID 165121154

IUPAC4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cccc(N2CCC(C)(C)CC2)c1
InChIInChI=1S/C16H25N/c1-13(2)14-6-5-7-15(12-14)17-10-8-16(3,4)9-11-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyCHBODYLQYSXNCT-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.44
Rot. Bonds2

About 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine

4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine (PubChem CID 165121154) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
PubChem CID165121154
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
SMILESCC(C)c1cccc(N2CCC(C)(C)CC2)c1
InChIInChI=1S/C16H25N/c1-13(2)14-6-5-7-15(12-14)17-10-8-16(3,4)9-11-17/h5-7,12-13H,8-11H2,1-4H3
InChIKeyCHBODYLQYSXNCT-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine?
The IUPAC name of 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine (CID 165121154) is 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine is CC(C)c1cccc(N2CCC(C)(C)CC2)c1.
What is the InChIKey of 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine?
The InChIKey is CHBODYLQYSXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)14-6-5-7-15(12-14)17-10-8-16(3,4)9-11-17/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine?
4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 165121154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).