4-butan-2-yl-3-(3-methylphenyl)piperidine

C16H25N — CID 79441756

IUPAC4-butan-2-yl-3-(3-methylphenyl)piperidine
SMILESCCC(C)C1CCNCC1c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-13(3)15-8-9-17-11-16(15)14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyRVSSGHNGNQQOSB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.73
Rot. Bonds3

About 4-butan-2-yl-3-(3-methylphenyl)piperidine

4-butan-2-yl-3-(3-methylphenyl)piperidine (PubChem CID 79441756) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-butan-2-yl-3-(3-methylphenyl)piperidine.

Molecular Properties

Compound Name4-butan-2-yl-3-(3-methylphenyl)piperidine
PubChem CID79441756
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-butan-2-yl-3-(3-methylphenyl)piperidine
SMILESCCC(C)C1CCNCC1c1cccc(C)c1
InChIInChI=1S/C16H25N/c1-4-13(3)15-8-9-17-11-16(15)14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3
InChIKeyRVSSGHNGNQQOSB-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-(3-methylphenyl)piperidine?
The IUPAC name of 4-butan-2-yl-3-(3-methylphenyl)piperidine (CID 79441756) is 4-butan-2-yl-3-(3-methylphenyl)piperidine.
What is the SMILES notation for 4-butan-2-yl-3-(3-methylphenyl)piperidine?
The canonical SMILES for 4-butan-2-yl-3-(3-methylphenyl)piperidine is CCC(C)C1CCNCC1c1cccc(C)c1.
What is the InChIKey of 4-butan-2-yl-3-(3-methylphenyl)piperidine?
The InChIKey is RVSSGHNGNQQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13(3)15-8-9-17-11-16(15)14-7-5-6-12(2)10-14/h5-7,10,13,15-17H,4,8-9,11H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-(3-methylphenyl)piperidine?
4-butan-2-yl-3-(3-methylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-(3-methylphenyl)piperidine is sourced from PubChem (CID 79441756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).