(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride

C12H20Cl2N2 — CID 3019512

IUPAC(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1(c2ccccc2)CC[NH2+]CC1
InChIInChI=1S/C12H18N2.2ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;;/h1-5,14H,6-10,13H2;2*1H
InChIKeyIZORKFZKKHEUJM-UHFFFAOYSA-N
MW263.21 g/mol
LogP-6.47
Rot. Bonds2

About (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride

(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride (PubChem CID 3019512) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride.

Molecular Properties

Compound Name(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride
PubChem CID3019512
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC Name(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride
SMILES[Cl-].[Cl-].[NH3+]CC1(c2ccccc2)CC[NH2+]CC1
InChIInChI=1S/C12H18N2.2ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;;/h1-5,14H,6-10,13H2;2*1H
InChIKeyIZORKFZKKHEUJM-UHFFFAOYSA-N
XLogP-6.47
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 5-6.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride?
The IUPAC name of (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride (CID 3019512) is (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride.
What is the SMILES notation for (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride?
The canonical SMILES for (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride is [Cl-].[Cl-].[NH3+]CC1(c2ccccc2)CC[NH2+]CC1.
What is the InChIKey of (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride?
The InChIKey is IZORKFZKKHEUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11;;/h1-5,14H,6-10,13H2;2*1H.
What are the key properties of (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride?
(4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride has a molecular weight of 263.21 g/mol, XLogP of -6.47, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-ium-4-yl)methylazanium dichloride is sourced from PubChem (CID 3019512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).