4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine

C20H33N — CID 155031330

IUPAC4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine
SMILESCc1ccc(C(C)(C)CC(C)(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N/c1-16-7-9-17(10-8-16)19(2,3)15-20(4,5)18-11-13-21(6)14-12-18/h7-10,18H,11-15H2,1-6H3
InChIKeyDXZRIOYBKILHMX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.03
Rot. Bonds4

About 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine

4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine (PubChem CID 155031330) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine
PubChem CID155031330
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine
SMILESCc1ccc(C(C)(C)CC(C)(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C20H33N/c1-16-7-9-17(10-8-16)19(2,3)15-20(4,5)18-11-13-21(6)14-12-18/h7-10,18H,11-15H2,1-6H3
InChIKeyDXZRIOYBKILHMX-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine (CID 155031330) is 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine is Cc1ccc(C(C)(C)CC(C)(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine?
The InChIKey is DXZRIOYBKILHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16-7-9-17(10-8-16)19(2,3)15-20(4,5)18-11-13-21(6)14-12-18/h7-10,18H,11-15H2,1-6H3.
What are the key properties of 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine?
4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine has a molecular weight of 287.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-dimethyl-4-(4-methylphenyl)pentan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 155031330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).