1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine

C17H26N2 — CID 61210851

IUPAC1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
SMILESCc1ccc(C2CC(NC3CCCN(C)C3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13-5-7-14(8-6-13)15-10-17(11-15)18-16-4-3-9-19(2)12-16/h5-8,15-18H,3-4,9-12H2,1-2H3
InChIKeyWGDQXYDPYXTOQY-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.92
Rot. Bonds3

About 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine

1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine (PubChem CID 61210851) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
PubChem CID61210851
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine
SMILESCc1ccc(C2CC(NC3CCCN(C)C3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13-5-7-14(8-6-13)15-10-17(11-15)18-16-4-3-9-19(2)12-16/h5-8,15-18H,3-4,9-12H2,1-2H3
InChIKeyWGDQXYDPYXTOQY-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine (CID 61210851) is 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine is Cc1ccc(C2CC(NC3CCCN(C)C3)C2)cc1.
What is the InChIKey of 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine?
The InChIKey is WGDQXYDPYXTOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-5-7-14(8-6-13)15-10-17(11-15)18-16-4-3-9-19(2)12-16/h5-8,15-18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine?
1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(4-methylphenyl)cyclobutyl]piperidin-3-amine is sourced from PubChem (CID 61210851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).