3-(4-tert-butylphenyl)-4-methylpiperidine

C16H25N — CID 66273809

IUPAC3-(4-tert-butylphenyl)-4-methylpiperidine
SMILESCC1CCNCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N/c1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyOUPAPQNIAFDOTO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.70
Rot. Bonds1

About 3-(4-tert-butylphenyl)-4-methylpiperidine

3-(4-tert-butylphenyl)-4-methylpiperidine (PubChem CID 66273809) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-4-methylpiperidine
PubChem CID66273809
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-(4-tert-butylphenyl)-4-methylpiperidine
SMILESCC1CCNCC1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H25N/c1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyOUPAPQNIAFDOTO-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-4-methylpiperidine?
The IUPAC name of 3-(4-tert-butylphenyl)-4-methylpiperidine (CID 66273809) is 3-(4-tert-butylphenyl)-4-methylpiperidine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-4-methylpiperidine?
The canonical SMILES for 3-(4-tert-butylphenyl)-4-methylpiperidine is CC1CCNCC1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-4-methylpiperidine?
The InChIKey is OUPAPQNIAFDOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-9-10-17-11-15(12)13-5-7-14(8-6-13)16(2,3)4/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-4-methylpiperidine?
3-(4-tert-butylphenyl)-4-methylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-4-methylpiperidine is sourced from PubChem (CID 66273809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).