4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine

C19H31N — CID 117436802

IUPAC4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
SMILESCC(C)(C)CC(C)(C)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H31N/c1-18(2,3)14-19(4,5)17-8-6-15(7-9-17)16-10-12-20-13-11-16/h6-9,16,20H,10-14H2,1-5H3
InChIKeyIWIJHTCXNPKANS-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.87
Rot. Bonds3

About 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine

4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine (PubChem CID 117436802) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
PubChem CID117436802
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
SMILESCC(C)(C)CC(C)(C)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C19H31N/c1-18(2,3)14-19(4,5)17-8-6-15(7-9-17)16-10-12-20-13-11-16/h6-9,16,20H,10-14H2,1-5H3
InChIKeyIWIJHTCXNPKANS-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
CID 116988059
4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine
CID 117116551
2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
CID 84786353
[4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]cyclohexyl] acetate
CID 123457830
ethane;4-(4-methylphenyl)piperidine
CID 145467036
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409611
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
sodium 4-(2,4,4-trimethylpentan-2-yl)phenolate
CID 23688526
potassium 4-piperidin-4-ylphenolate
CID 143791971
(4-piperidin-4-ylphenyl)methanethiol
CID 116988080

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine?
The IUPAC name of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine (CID 117436802) is 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine.
What is the SMILES notation for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine?
The canonical SMILES for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine is CC(C)(C)CC(C)(C)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine?
The InChIKey is IWIJHTCXNPKANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-18(2,3)14-19(4,5)17-8-6-15(7-9-17)16-10-12-20-13-11-16/h6-9,16,20H,10-14H2,1-5H3.
What are the key properties of 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine?
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine has a molecular weight of 273.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine is sourced from PubChem (CID 117436802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).