1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine

C24H26F2N2 — CID 142138954

IUPAC1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
SMILESFc1ccc(CN2CCC(CNCc3cccc4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H26F2N2/c25-22-9-8-21(24(26)14-22)17-28-12-10-18(11-13-28)15-27-16-20-6-3-5-19-4-1-2-7-23(19)20/h1-9,14,18,27H,10-13,15-17H2
InChIKeyHPGZOGQLKGXSQH-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.12
Rot. Bonds6

About 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine

1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 142138954) has the molecular formula C24H26F2N2 and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID142138954
Molecular FormulaC24H26F2N2
Molecular Weight380.48 g/mol
Exact Mass380.21
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine
SMILESFc1ccc(CN2CCC(CNCc3cccc4ccccc34)CC2)c(F)c1
InChIInChI=1S/C24H26F2N2/c25-22-9-8-21(24(26)14-22)17-28-12-10-18(11-13-28)15-27-16-20-6-3-5-19-4-1-2-7-23(19)20/h1-9,14,18,27H,10-13,15-17H2
InChIKeyHPGZOGQLKGXSQH-UHFFFAOYSA-N
XLogP5.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-(2,4-difluorophenyl)-3-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
CID 15989563
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
1-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62512142
N-[[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513970
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681
1-[[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
CID 135368122

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine (CID 142138954) is 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine is Fc1ccc(CN2CCC(CNCc3cccc4ccccc34)CC2)c(F)c1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is HPGZOGQLKGXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2/c25-22-9-8-21(24(26)14-22)17-28-12-10-18(11-13-28)15-27-16-20-6-3-5-19-4-1-2-7-23(19)20/h1-9,14,18,27H,10-13,15-17H2.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine?
1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 380.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 142138954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).