1-[1-(2-methylphenyl)pentan-2-yl]piperidine

C17H27N — CID 176959434

IUPAC1-[1-(2-methylphenyl)pentan-2-yl]piperidine
SMILESCCCC(Cc1ccccc1C)N1CCCCC1
InChIInChI=1S/C17H27N/c1-3-9-17(18-12-7-4-8-13-18)14-16-11-6-5-10-15(16)2/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3
InChIKeyYYKHEWYMDPTHSA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.19
Rot. Bonds5

About 1-[1-(2-methylphenyl)pentan-2-yl]piperidine

1-[1-(2-methylphenyl)pentan-2-yl]piperidine (PubChem CID 176959434) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)pentan-2-yl]piperidine
PubChem CID176959434
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[1-(2-methylphenyl)pentan-2-yl]piperidine
SMILESCCCC(Cc1ccccc1C)N1CCCCC1
InChIInChI=1S/C17H27N/c1-3-9-17(18-12-7-4-8-13-18)14-16-11-6-5-10-15(16)2/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3
InChIKeyYYKHEWYMDPTHSA-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-[1-(2-methylphenyl)pentan-2-yl]piperidine;2-(1-phenylpentan-2-yl)-2-azabicyclo[2.2.2]octane
CID 176959489
1-[1-(1,3-benzodioxol-5-yl)pentan-2-yl]piperidine
CID 176959544
1-(2-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289885
3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82088060
3-(2-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82082601
3-(2-fluorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82083725
1-(2-methylphenyl)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 110403948
1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
CID 110403434
methane;1-octan-4-ylpiperidine
CID 143122058
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
N-ethylbut-1-en-2-amine;2-[(2-methylphenyl)methyl]-1-piperidin-1-ylbutan-1-one
CID 144994804

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)pentan-2-yl]piperidine?
The IUPAC name of 1-[1-(2-methylphenyl)pentan-2-yl]piperidine (CID 176959434) is 1-[1-(2-methylphenyl)pentan-2-yl]piperidine.
What is the SMILES notation for 1-[1-(2-methylphenyl)pentan-2-yl]piperidine?
The canonical SMILES for 1-[1-(2-methylphenyl)pentan-2-yl]piperidine is CCCC(Cc1ccccc1C)N1CCCCC1.
What is the InChIKey of 1-[1-(2-methylphenyl)pentan-2-yl]piperidine?
The InChIKey is YYKHEWYMDPTHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-9-17(18-12-7-4-8-13-18)14-16-11-6-5-10-15(16)2/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)pentan-2-yl]piperidine?
1-[1-(2-methylphenyl)pentan-2-yl]piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)pentan-2-yl]piperidine is sourced from PubChem (CID 176959434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).