N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine

C14H25N2O+ — CID 42649082

IUPACN-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine
SMILESON=C1C2CCCC1C([NH+]1CCCCC1)CC2
InChIInChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/p+1
InChIKeyUEMQBUNIAKDORY-UHFFFAOYSA-O
MW237.37 g/mol
LogP1.46
Rot. Bonds1

About N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine

N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine (PubChem CID 42649082) has the molecular formula C14H25N2O+ and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine
PubChem CID42649082
Molecular FormulaC14H25N2O+
Molecular Weight237.37 g/mol
Exact Mass237.20
IUPAC NameN-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine
SMILESON=C1C2CCCC1C([NH+]1CCCCC1)CC2
InChIInChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/p+1
InChIKeyUEMQBUNIAKDORY-UHFFFAOYSA-O
XLogP1.46
TPSA37.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The IUPAC name of N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine (CID 42649082) is N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine.
What is the SMILES notation for N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The canonical SMILES for N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine is ON=C1C2CCCC1C([NH+]1CCCCC1)CC2.
What is the InChIKey of N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine?
The InChIKey is UEMQBUNIAKDORY-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2O/c17-15-14-11-5-4-6-12(14)13(8-7-11)16-9-2-1-3-10-16/h11-13,17H,1-10H2/p+1.
What are the key properties of N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine?
N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine has a molecular weight of 237.37 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ium-1-yl-9-bicyclo[3.3.1]nonanylidene)hydroxylamine is sourced from PubChem (CID 42649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).