N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine

C17H28N2 — CID 116951362

IUPACN-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1c(C)c(C)cc(C)c1C)C1CCNCC1
InChIInChI=1S/C17H28N2/c1-11-10-12(2)14(4)16(13(11)3)17(18-5)15-6-8-19-9-7-15/h10,15,17-19H,6-9H2,1-5H3
InChIKeyAUHPIQKGTKIMRJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.18
Rot. Bonds3

About N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine

N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 116951362) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID116951362
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCNC(c1c(C)c(C)cc(C)c1C)C1CCNCC1
InChIInChI=1S/C17H28N2/c1-11-10-12(2)14(4)16(13(11)3)17(18-5)15-6-8-19-9-7-15/h10,15,17-19H,6-9H2,1-5H3
InChIKeyAUHPIQKGTKIMRJ-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951339
1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 116957010
piperidin-4-yl-(2,4,5-trimethylphenyl)methanol
CID 80503850
1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 116951367
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
CID 116952300
2,2,2-trifluoro-N-methyl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43483979

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine (CID 116951362) is N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine is CNC(c1c(C)c(C)cc(C)c1C)C1CCNCC1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is AUHPIQKGTKIMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11-10-12(2)14(4)16(13(11)3)17(18-5)15-6-8-19-9-7-15/h10,15,17-19H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine?
N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-1-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 116951362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).