1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine

C17H26N2 — CID 71106426

IUPAC1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
SMILESCc1ccc(N2CCC(N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2/c1-14-5-6-17(15(2)13-14)19-11-7-16(8-12-19)18-9-3-4-10-18/h5-6,13,16H,3-4,7-12H2,1-2H3
InChIKeyUTRZZTKGXZWBCI-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.37
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine

1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 71106426) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
PubChem CID71106426
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
SMILESCc1ccc(N2CCC(N3CCCC3)CC2)c(C)c1
InChIInChI=1S/C17H26N2/c1-14-5-6-17(15(2)13-14)19-11-7-16(8-12-19)18-9-3-4-10-18/h5-6,13,16H,3-4,7-12H2,1-2H3
InChIKeyUTRZZTKGXZWBCI-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine (CID 71106426) is 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine is Cc1ccc(N2CCC(N3CCCC3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is UTRZZTKGXZWBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-5-6-17(15(2)13-14)19-11-7-16(8-12-19)18-9-3-4-10-18/h5-6,13,16H,3-4,7-12H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine?
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 258.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 71106426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).