N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine

C18H24F2N4O — CID 56915817

IUPACN-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine
SMILESCOCCn1cncc1CN1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H24F2N4O/c1-25-8-7-24-13-21-10-16(24)12-23-6-2-3-15(11-23)22-14-4-5-17(19)18(20)9-14/h4-5,9-10,13,15,22H,2-3,6-8,11-12H2,1H3
InChIKeyVMDIUDQOWVQZTO-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.88
Rot. Bonds7

About N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine

N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine (PubChem CID 56915817) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine
PubChem CID56915817
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC NameN-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine
SMILESCOCCn1cncc1CN1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C18H24F2N4O/c1-25-8-7-24-13-21-10-16(24)12-23-6-2-3-15(11-23)22-14-4-5-17(19)18(20)9-14/h4-5,9-10,13,15,22H,2-3,6-8,11-12H2,1H3
InChIKeyVMDIUDQOWVQZTO-UHFFFAOYSA-N
XLogP2.88
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine (CID 56915817) is N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine is COCCn1cncc1CN1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine?
The InChIKey is VMDIUDQOWVQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-25-8-7-24-13-21-10-16(24)12-23-6-2-3-15(11-23)22-14-4-5-17(19)18(20)9-14/h4-5,9-10,13,15,22H,2-3,6-8,11-12H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine?
N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine has a molecular weight of 350.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 56915817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).