2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine

C16H25N — CID 82495630

IUPAC2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
SMILESCc1ccc(C(C)C)cc1CC1CCCCN1
InChIInChI=1S/C16H25N/c1-12(2)14-8-7-13(3)15(10-14)11-16-6-4-5-9-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3
InChIKeyJMBVRDONKCJATJ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.80
Rot. Bonds3

About 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine

2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine (PubChem CID 82495630) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
PubChem CID82495630
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
SMILESCc1ccc(C(C)C)cc1CC1CCCCN1
InChIInChI=1S/C16H25N/c1-12(2)14-8-7-13(3)15(10-14)11-16-6-4-5-9-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3
InChIKeyJMBVRDONKCJATJ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
2-[(2,3-difluoro-5-propan-2-ylphenyl)methyl]piperidine
CID 117386486
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(difluoromethyl)-6-(piperidin-2-ylmethyl)-4-propan-2-ylphenol
CID 117455589
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine (CID 82495630) is 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine is Cc1ccc(C(C)C)cc1CC1CCCCN1.
What is the InChIKey of 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is JMBVRDONKCJATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)14-8-7-13(3)15(10-14)11-16-6-4-5-9-17-16/h7-8,10,12,16-17H,4-6,9,11H2,1-3H3.
What are the key properties of 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 82495630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).