1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine

C15H21BrN2 — CID 55250201

IUPAC1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c16-13-5-3-12-9-15(6-4-11(12)8-13)18-7-1-2-14(17)10-18/h3,5,8,14-15H,1-2,4,6-7,9-10,17H2
InChIKeyWEVPPSSHKRBEIS-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.73
Rot. Bonds1

About 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine

1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine (PubChem CID 55250201) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine
PubChem CID55250201
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine
SMILESNC1CCCN(C2CCc3cc(Br)ccc3C2)C1
InChIInChI=1S/C15H21BrN2/c16-13-5-3-12-9-15(6-4-11(12)8-13)18-7-1-2-14(17)10-18/h3,5,8,14-15H,1-2,4,6-7,9-10,17H2
InChIKeyWEVPPSSHKRBEIS-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine?
The IUPAC name of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine (CID 55250201) is 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine is NC1CCCN(C2CCc3cc(Br)ccc3C2)C1.
What is the InChIKey of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine?
The InChIKey is WEVPPSSHKRBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-13-5-3-12-9-15(6-4-11(12)8-13)18-7-1-2-14(17)10-18/h3,5,8,14-15H,1-2,4,6-7,9-10,17H2.
What are the key properties of 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine?
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-3-amine is sourced from PubChem (CID 55250201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).