[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride

C7H17Cl2FN2 — CID 139533721

IUPAC[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(CF)CCNCC1
InChIInChI=1S/C7H15FN2.2ClH/c8-5-7(6-9)1-3-10-4-2-7;;/h10H,1-6,9H2;2*1H
InChIKeyPJVZKWBZAXTPGF-UHFFFAOYSA-N
MW219.13 g/mol
LogP1.13
Rot. Bonds2

About [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride

[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 139533721) has the molecular formula C7H17Cl2FN2 and a molecular weight of 219.13 g/mol. Its IUPAC name is [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
PubChem CID139533721
Molecular FormulaC7H17Cl2FN2
Molecular Weight219.13 g/mol
Exact Mass218.08
IUPAC Name[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1(CF)CCNCC1
InChIInChI=1S/C7H15FN2.2ClH/c8-5-7(6-9)1-3-10-4-2-7;;/h10H,1-6,9H2;2*1H
InChIKeyPJVZKWBZAXTPGF-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride (CID 139533721) is [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride is Cl.Cl.NCC1(CF)CCNCC1.
What is the InChIKey of [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is PJVZKWBZAXTPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2.2ClH/c8-5-7(6-9)1-3-10-4-2-7;;/h10H,1-6,9H2;2*1H.
What are the key properties of [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride?
[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 219.13 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 139533721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).