1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine

C16H19FN2 — CID 594347

IUPAC1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C16H19FN2/c17-15-4-3-13-9-12(1-2-14(13)10-15)11-19-7-5-16(18)6-8-19/h1-4,9-10,16H,5-8,11,18H2
InChIKeyVORWTFWMZCRIGW-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.90
Rot. Bonds2

About 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine

1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine (PubChem CID 594347) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine
PubChem CID594347
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C16H19FN2/c17-15-4-3-13-9-12(1-2-14(13)10-15)11-19-7-5-16(18)6-8-19/h1-4,9-10,16H,5-8,11,18H2
InChIKeyVORWTFWMZCRIGW-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine (CID 594347) is 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1.
What is the InChIKey of 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine?
The InChIKey is VORWTFWMZCRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-15-4-3-13-9-12(1-2-14(13)10-15)11-19-7-5-16(18)6-8-19/h1-4,9-10,16H,5-8,11,18H2.
What are the key properties of 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine?
1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine has a molecular weight of 258.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 594347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).