2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride

C17H21ClN2 — CID 45260106

IUPAC2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C17H20N2.ClH/c18-17(19-10-4-1-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14;/h2-3,6-9,12,18H,1,4-5,10-11,13H2;1H/b18-17-;
InChIKeyYWACOKRNDCMXPQ-YBFBCAGJSA-N
MW288.82 g/mol
LogP4.27
Rot. Bonds2

About 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride

2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride (PubChem CID 45260106) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride
PubChem CID45260106
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCC1
InChIInChI=1S/C17H20N2.ClH/c18-17(19-10-4-1-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14;/h2-3,6-9,12,18H,1,4-5,10-11,13H2;1H/b18-17-;
InChIKeyYWACOKRNDCMXPQ-YBFBCAGJSA-N
XLogP4.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.27
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 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride (CID 45260106) is 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCCCC1.
What is the InChIKey of 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride?
The InChIKey is YWACOKRNDCMXPQ-YBFBCAGJSA-N. The full InChI is InChI=1S/C17H20N2.ClH/c18-17(19-10-4-1-5-11-19)13-14-8-9-15-6-2-3-7-16(15)12-14;/h2-3,6-9,12,18H,1,4-5,10-11,13H2;1H/b18-17-;.
What are the key properties of 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride?
2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride is sourced from PubChem (CID 45260106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).