3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine

C16H25N — CID 82495631

IUPAC3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
SMILESCc1ccc(C(C)C)cc1CC1CCCNC1
InChIInChI=1S/C16H25N/c1-12(2)15-7-6-13(3)16(10-15)9-14-5-4-8-17-11-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZHUDKEVCCNPCKR-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.66
Rot. Bonds3

About 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine

3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine (PubChem CID 82495631) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
PubChem CID82495631
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
SMILESCc1ccc(C(C)C)cc1CC1CCCNC1
InChIInChI=1S/C16H25N/c1-12(2)15-7-6-13(3)16(10-15)9-14-5-4-8-17-11-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyZHUDKEVCCNPCKR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[5-(1-fluoroethyl)-2-methylphenyl]methyl]pyrrolidine
CID 84788099
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
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(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377672
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
2-(piperidin-3-ylmethyl)-4-propan-2-ylpyridine
CID 115009336
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine (CID 82495631) is 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine is Cc1ccc(C(C)C)cc1CC1CCCNC1.
What is the InChIKey of 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is ZHUDKEVCCNPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-7-6-13(3)16(10-15)9-14-5-4-8-17-11-14/h6-7,10,12,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine?
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 82495631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).