N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten

C11H16N3W- — CID 59886375

IUPACN-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten
SMILES[W].[c-]1cc(NCC2CCNCC2)ccn1
InChIInChI=1S/C11H16N3.W/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11;/h3-4,7,10,12H,1-2,5-6,9H2,(H,13,14);/q-1;
InChIKeyNSVWNVJMVYURER-UHFFFAOYSA-N
MW374.11 g/mol
LogP1.29
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten

N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten (PubChem CID 59886375) has the molecular formula C11H16N3W- and a molecular weight of 374.11 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten
PubChem CID59886375
Molecular FormulaC11H16N3W-
Molecular Weight374.11 g/mol
Exact Mass374.09
IUPAC NameN-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten
SMILES[W].[c-]1cc(NCC2CCNCC2)ccn1
InChIInChI=1S/C11H16N3.W/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11;/h3-4,7,10,12H,1-2,5-6,9H2,(H,13,14);/q-1;
InChIKeyNSVWNVJMVYURER-UHFFFAOYSA-N
XLogP1.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.11
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten?
The IUPAC name of N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten (CID 59886375) is N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten?
The canonical SMILES for N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten is [W].[c-]1cc(NCC2CCNCC2)ccn1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten?
The InChIKey is NSVWNVJMVYURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3.W/c1-5-12-6-2-10(1)9-14-11-3-7-13-8-4-11;/h3-4,7,10,12H,1-2,5-6,9H2,(H,13,14);/q-1;.
What are the key properties of N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten?
N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten has a molecular weight of 374.11 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-2H-pyridin-2-id-4-amine;tungsten is sourced from PubChem (CID 59886375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).