2-[(2-pentan-3-ylphenyl)methyl]piperidine

C17H27N — CID 117366332

IUPAC2-[(2-pentan-3-ylphenyl)methyl]piperidine
SMILESCCC(CC)c1ccccc1CC1CCCCN1
InChIInChI=1S/C17H27N/c1-3-14(4-2)17-11-6-5-9-15(17)13-16-10-7-8-12-18-16/h5-6,9,11,14,16,18H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyYOWQMVLZHKZBKA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds5

About 2-[(2-pentan-3-ylphenyl)methyl]piperidine

2-[(2-pentan-3-ylphenyl)methyl]piperidine (PubChem CID 117366332) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(2-pentan-3-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-pentan-3-ylphenyl)methyl]piperidine
PubChem CID117366332
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(2-pentan-3-ylphenyl)methyl]piperidine
SMILESCCC(CC)c1ccccc1CC1CCCCN1
InChIInChI=1S/C17H27N/c1-3-14(4-2)17-11-6-5-9-15(17)13-16-10-7-8-12-18-16/h5-6,9,11,14,16,18H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyYOWQMVLZHKZBKA-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(piperidin-2-ylmethyl)aniline
CID 84662844
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
2-(2-pentan-3-ylphenyl)pyrrolidine
CID 83836318
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
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2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pentan-3-ylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2-pentan-3-ylphenyl)methyl]piperidine (CID 117366332) is 2-[(2-pentan-3-ylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2-pentan-3-ylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2-pentan-3-ylphenyl)methyl]piperidine is CCC(CC)c1ccccc1CC1CCCCN1.
What is the InChIKey of 2-[(2-pentan-3-ylphenyl)methyl]piperidine?
The InChIKey is YOWQMVLZHKZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-14(4-2)17-11-6-5-9-15(17)13-16-10-7-8-12-18-16/h5-6,9,11,14,16,18H,3-4,7-8,10,12-13H2,1-2H3.
What are the key properties of 2-[(2-pentan-3-ylphenyl)methyl]piperidine?
2-[(2-pentan-3-ylphenyl)methyl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pentan-3-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117366332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).