piperidin-1-ylmethanimine;hydrochloride

C6H13ClN2 — CID 173440315

IUPACpiperidin-1-ylmethanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCCCC1
InChIInChI=1S/C6H12N2.ClH/c7-6-8-4-2-1-3-5-8;/h6-7H,1-5H2;1H/b7-6+;
InChIKeyGCEOLROWGRCBAC-UHDJGPCESA-N
MW148.64 g/mol
LogP1.50
Rot. Bonds1

About piperidin-1-ylmethanimine;hydrochloride

piperidin-1-ylmethanimine;hydrochloride (PubChem CID 173440315) has the molecular formula C6H13ClN2 and a molecular weight of 148.64 g/mol. Its IUPAC name is piperidin-1-ylmethanimine;hydrochloride.

Molecular Properties

Compound Namepiperidin-1-ylmethanimine;hydrochloride
PubChem CID173440315
Molecular FormulaC6H13ClN2
Molecular Weight148.64 g/mol
Exact Mass148.08
IUPAC Namepiperidin-1-ylmethanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCCCC1
InChIInChI=1S/C6H12N2.ClH/c7-6-8-4-2-1-3-5-8;/h6-7H,1-5H2;1H/b7-6+;
InChIKeyGCEOLROWGRCBAC-UHDJGPCESA-N
XLogP1.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.64
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ylmethanimine;hydrochloride?
The IUPAC name of piperidin-1-ylmethanimine;hydrochloride (CID 173440315) is piperidin-1-ylmethanimine;hydrochloride.
What is the SMILES notation for piperidin-1-ylmethanimine;hydrochloride?
The canonical SMILES for piperidin-1-ylmethanimine;hydrochloride is Cl.[H]/N=C/N1CCCCC1.
What is the InChIKey of piperidin-1-ylmethanimine;hydrochloride?
The InChIKey is GCEOLROWGRCBAC-UHDJGPCESA-N. The full InChI is InChI=1S/C6H12N2.ClH/c7-6-8-4-2-1-3-5-8;/h6-7H,1-5H2;1H/b7-6+;.
What are the key properties of piperidin-1-ylmethanimine;hydrochloride?
piperidin-1-ylmethanimine;hydrochloride has a molecular weight of 148.64 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ylmethanimine;hydrochloride is sourced from PubChem (CID 173440315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).