1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine

C23H24F2N2 — CID 56796601

IUPAC1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESFc1ccc(CN2CCC(NCc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C23H24F2N2/c24-22-9-8-17(14-23(22)25)16-27-12-10-20(11-13-27)26-15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,20,26H,10-13,15-16H2
InChIKeyLNLDVPLVDWOZSF-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.87
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine

1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine (PubChem CID 56796601) has the molecular formula C23H24F2N2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine
PubChem CID56796601
Molecular FormulaC23H24F2N2
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine
SMILESFc1ccc(CN2CCC(NCc3cccc4ccccc34)CC2)cc1F
InChIInChI=1S/C23H24F2N2/c24-22-9-8-17(14-23(22)25)16-27-12-10-20(11-13-27)26-15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,20,26H,10-13,15-16H2
InChIKeyLNLDVPLVDWOZSF-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine (CID 56796601) is 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine is Fc1ccc(CN2CCC(NCc3cccc4ccccc34)CC2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
The InChIKey is LNLDVPLVDWOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2/c24-22-9-8-17(14-23(22)25)16-27-12-10-20(11-13-27)26-15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,20,26H,10-13,15-16H2.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine?
1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine has a molecular weight of 366.46 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-(naphthalen-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56796601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).