4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine

C16H25N — CID 63156729

IUPAC4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
SMILESCC(C)Cc1ccc(C2(C)CCNCC2)cc1
InChIInChI=1S/C16H25N/c1-13(2)12-14-4-6-15(7-5-14)16(3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3
InChIKeyZLXYCXGEXHRNAC-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.53
Rot. Bonds3

About 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine

4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine (PubChem CID 63156729) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
PubChem CID63156729
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine
SMILESCC(C)Cc1ccc(C2(C)CCNCC2)cc1
InChIInChI=1S/C16H25N/c1-13(2)12-14-4-6-15(7-5-14)16(3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3
InChIKeyZLXYCXGEXHRNAC-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-[4-(2-methylpropyl)phenyl]morpholine
CID 3066074
ethane;4-methyl-4-phenylpiperidine
CID 91476557
[2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 116842625
[2-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropyl]methanol
CID 81357565
1-[2-methyl-1-[4-(2-methylpropyl)phenyl]propan-2-yl]piperazine
CID 95477611
4-methyl-4-phenylazepane
CID 89410025
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
3-methyl-3-[4-(2-methylpropyl)phenyl]thiiran-2-one
CID 88708350
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine?
The IUPAC name of 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine (CID 63156729) is 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine.
What is the SMILES notation for 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine?
The canonical SMILES for 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine is CC(C)Cc1ccc(C2(C)CCNCC2)cc1.
What is the InChIKey of 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine?
The InChIKey is ZLXYCXGEXHRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)12-14-4-6-15(7-5-14)16(3)8-10-17-11-9-16/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine?
4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[4-(2-methylpropyl)phenyl]piperidine is sourced from PubChem (CID 63156729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).