N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride

C13H23Cl3FN3 — CID 68863193

IUPACN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride
SMILESCc1ccc(CNCC2(F)CCNCC2)nc1.Cl.Cl.Cl
InChIInChI=1S/C13H20FN3.3ClH/c1-11-2-3-12(17-8-11)9-16-10-13(14)4-6-15-7-5-13;;;/h2-3,8,15-16H,4-7,9-10H2,1H3;3*1H
InChIKeyCFCBPEKROIZPGF-UHFFFAOYSA-N
MW346.71 g/mol
LogP2.84
Rot. Bonds4

About N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride

N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride (PubChem CID 68863193) has the molecular formula C13H23Cl3FN3 and a molecular weight of 346.71 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride
PubChem CID68863193
Molecular FormulaC13H23Cl3FN3
Molecular Weight346.71 g/mol
Exact Mass345.09
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride
SMILESCc1ccc(CNCC2(F)CCNCC2)nc1.Cl.Cl.Cl
InChIInChI=1S/C13H20FN3.3ClH/c1-11-2-3-12(17-8-11)9-16-10-13(14)4-6-15-7-5-13;;;/h2-3,8,15-16H,4-7,9-10H2,1H3;3*1H
InChIKeyCFCBPEKROIZPGF-UHFFFAOYSA-N
XLogP2.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride (CID 68863193) is N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride is Cc1ccc(CNCC2(F)CCNCC2)nc1.Cl.Cl.Cl.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride?
The InChIKey is CFCBPEKROIZPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3.3ClH/c1-11-2-3-12(17-8-11)9-16-10-13(14)4-6-15-7-5-13;;;/h2-3,8,15-16H,4-7,9-10H2,1H3;3*1H.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride?
N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride has a molecular weight of 346.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine;trihydrochloride is sourced from PubChem (CID 68863193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).