1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine

C17H28N2 — CID 117020768

IUPAC1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(C)cc(C)c2)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-14(2)10-16(9-13)19-7-6-15(12-18-5)11-17(19,3)4/h8-10,15,18H,6-7,11-12H2,1-5H3
InChIKeyBVDATBRGPCDPLO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds3

About 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine

1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine (PubChem CID 117020768) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine
PubChem CID117020768
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(C)cc(C)c2)C(C)(C)C1
InChIInChI=1S/C17H28N2/c1-13-8-14(2)10-16(9-13)19-7-6-15(12-18-5)11-17(19,3)4/h8-10,15,18H,6-7,11-12H2,1-5H3
InChIKeyBVDATBRGPCDPLO-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
CID 117020439
[2,2-dimethyl-1-(4-methylphenyl)piperidin-4-yl]methanamine
CID 117020616
1-(3,5-dimethylphenyl)-5,5-dimethylpyrrolidin-3-ol
CID 117017933
1-[2,2-dimethyl-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 117017829
1-[1-(2-bromo-4-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117018975
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
3-(3,5-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119545622
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
[1-(2,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanamine
CID 117020618
N-methyl-4-(methylaminomethyl)piperidin-1-amine
CID 123789266
1-(3,4-dimethylphenyl)-N,2,2-trimethylpiperidin-4-amine
CID 117020196
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine (CID 117020768) is 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2cc(C)cc(C)c2)C(C)(C)C1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine?
The InChIKey is BVDATBRGPCDPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-14(2)10-16(9-13)19-7-6-15(12-18-5)11-17(19,3)4/h8-10,15,18H,6-7,11-12H2,1-5H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine?
1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 117020768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).