2-[(4-methylphenyl)methyl]-2-propylpiperidine

C16H25N — CID 115058989

IUPAC2-[(4-methylphenyl)methyl]-2-propylpiperidine
SMILESCCCC1(Cc2ccc(C)cc2)CCCCN1
InChIInChI=1S/C16H25N/c1-3-10-16(11-4-5-12-17-16)13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyDTVOFRDGOIYGRH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.85
Rot. Bonds4

About 2-[(4-methylphenyl)methyl]-2-propylpiperidine

2-[(4-methylphenyl)methyl]-2-propylpiperidine (PubChem CID 115058989) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-2-propylpiperidine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-2-propylpiperidine
PubChem CID115058989
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(4-methylphenyl)methyl]-2-propylpiperidine
SMILESCCCC1(Cc2ccc(C)cc2)CCCCN1
InChIInChI=1S/C16H25N/c1-3-10-16(11-4-5-12-17-16)13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyDTVOFRDGOIYGRH-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-2-propylpiperidine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-2-propylpiperidine (CID 115058989) is 2-[(4-methylphenyl)methyl]-2-propylpiperidine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-2-propylpiperidine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-2-propylpiperidine is CCCC1(Cc2ccc(C)cc2)CCCCN1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-2-propylpiperidine?
The InChIKey is DTVOFRDGOIYGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-10-16(11-4-5-12-17-16)13-15-8-6-14(2)7-9-15/h6-9,17H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-2-propylpiperidine?
2-[(4-methylphenyl)methyl]-2-propylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-2-propylpiperidine is sourced from PubChem (CID 115058989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).