2-[(4-butan-2-ylphenyl)methyl]piperidine

C16H25N — CID 82341703

IUPAC2-[(4-butan-2-ylphenyl)methyl]piperidine
SMILESCCC(C)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25N/c1-3-13(2)15-9-7-14(8-10-15)12-16-6-4-5-11-17-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyRHBSXAWYJVYRRQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.88
Rot. Bonds4

About 2-[(4-butan-2-ylphenyl)methyl]piperidine

2-[(4-butan-2-ylphenyl)methyl]piperidine (PubChem CID 82341703) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)methyl]piperidine
PubChem CID82341703
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(4-butan-2-ylphenyl)methyl]piperidine
SMILESCCC(C)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C16H25N/c1-3-13(2)15-9-7-14(8-10-15)12-16-6-4-5-11-17-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3
InChIKeyRHBSXAWYJVYRRQ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(4-butan-2-ylphenyl)methyl]piperidine (CID 82341703) is 2-[(4-butan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)methyl]piperidine is CCC(C)c1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)methyl]piperidine?
The InChIKey is RHBSXAWYJVYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-13(2)15-9-7-14(8-10-15)12-16-6-4-5-11-17-16/h7-10,13,16-17H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[(4-butan-2-ylphenyl)methyl]piperidine?
2-[(4-butan-2-ylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 82341703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).