(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride

C19H23ClN2 — CID 13097862

IUPAC(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2.ClH/c20-15-21-13-11-18(12-14-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,15,18-20H,11-14H2;1H/b20-15+;
InChIKeyXBHCYXLAZYAJBG-QMGGKDRNSA-N
MW314.86 g/mol
LogP4.56
Rot. Bonds4

About (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride

(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride (PubChem CID 13097862) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride.

Molecular Properties

Compound Name(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride
PubChem CID13097862
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride
SMILESCl.[H]/N=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H22N2.ClH/c20-15-21-13-11-18(12-14-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,15,18-20H,11-14H2;1H/b20-15+;
InChIKeyXBHCYXLAZYAJBG-QMGGKDRNSA-N
XLogP4.56
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.56
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 (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride?
The IUPAC name of (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride (CID 13097862) is (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride.
What is the SMILES notation for (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride?
The canonical SMILES for (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride is Cl.[H]/N=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride?
The InChIKey is XBHCYXLAZYAJBG-QMGGKDRNSA-N. The full InChI is InChI=1S/C19H22N2.ClH/c20-15-21-13-11-18(12-14-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h1-10,15,18-20H,11-14H2;1H/b20-15+;.
What are the key properties of (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride?
(4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperidin-1-yl)methanimine;hydrochloride is sourced from PubChem (CID 13097862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).