(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23N3O2 — CID 59167873

IUPAC(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2cc(CN3CCCCC3)c([N+](=O)[O-])cc21
InChIInChI=1S/C16H23N3O2/c17-15-6-4-5-12-9-13(11-18-7-2-1-3-8-18)16(19(20)21)10-14(12)15/h9-10,15H,1-8,11,17H2/t15-/m1/s1
InChIKeyVRNLXHIXJBLECM-OAHLLOKOSA-N
MW289.38 g/mol
LogP2.92
Rot. Bonds3

About (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 59167873) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID59167873
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1CCCc2cc(CN3CCCCC3)c([N+](=O)[O-])cc21
InChIInChI=1S/C16H23N3O2/c17-15-6-4-5-12-9-13(11-18-7-2-1-3-8-18)16(19(20)21)10-14(12)15/h9-10,15H,1-8,11,17H2/t15-/m1/s1
InChIKeyVRNLXHIXJBLECM-OAHLLOKOSA-N
XLogP2.92
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 59167873) is (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1CCCc2cc(CN3CCCCC3)c([N+](=O)[O-])cc21.
What is the InChIKey of (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VRNLXHIXJBLECM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-15-6-4-5-12-9-13(11-18-7-2-1-3-8-18)16(19(20)21)10-14(12)15/h9-10,15H,1-8,11,17H2/t15-/m1/s1.
What are the key properties of (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-nitro-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 59167873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).