1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine

C17H28N2 — CID 63853047

IUPAC1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H28N2/c1-13-7-8-14(2)17(10-13)12-19-9-5-6-16(11-19)15(3)18-4/h7-8,10,15-16,18H,5-6,9,11-12H2,1-4H3
InChIKeyUXMRFIUTYLDGSJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds4

About 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine

1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine (PubChem CID 63853047) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine
PubChem CID63853047
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2cc(C)ccc2C)C1
InChIInChI=1S/C17H28N2/c1-13-7-8-14(2)17(10-13)12-19-9-5-6-16(11-19)15(3)18-4/h7-8,10,15-16,18H,5-6,9,11-12H2,1-4H3
InChIKeyUXMRFIUTYLDGSJ-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine (CID 63853047) is 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine is CNC(C)C1CCCN(Cc2cc(C)ccc2C)C1.
What is the InChIKey of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The InChIKey is UXMRFIUTYLDGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-7-8-14(2)17(10-13)12-19-9-5-6-16(11-19)15(3)18-4/h7-8,10,15-16,18H,5-6,9,11-12H2,1-4H3.
What are the key properties of 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylphenyl)methyl]piperidin-3-yl]-N-methylethanamine is sourced from PubChem (CID 63853047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).