1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine

C17H26N2 — CID 81327342

IUPAC1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine
SMILESCC1CCC(NC2CCCN(C)C2)c2ccccc21
InChIInChI=1S/C17H26N2/c1-13-9-10-17(16-8-4-3-7-15(13)16)18-14-6-5-11-19(2)12-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3
InChIKeyWACHEPLWQAISLM-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.31
Rot. Bonds2

About 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine

1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine (PubChem CID 81327342) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine
PubChem CID81327342
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine
SMILESCC1CCC(NC2CCCN(C)C2)c2ccccc21
InChIInChI=1S/C17H26N2/c1-13-9-10-17(16-8-4-3-7-15(13)16)18-14-6-5-11-19(2)12-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3
InChIKeyWACHEPLWQAISLM-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine?
The IUPAC name of 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine (CID 81327342) is 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine?
The canonical SMILES for 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine is CC1CCC(NC2CCCN(C)C2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine?
The InChIKey is WACHEPLWQAISLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13-9-10-17(16-8-4-3-7-15(13)16)18-14-6-5-11-19(2)12-14/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3.
What are the key properties of 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine?
1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-amine is sourced from PubChem (CID 81327342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).