N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

C22H33FN4O — CID 26320719

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1cc(CN(CCOC)CC2CCN(Cc3ccccc3F)CC2)cn1
InChIInChI=1S/C22H33FN4O/c1-3-27-17-20(14-24-27)16-26(12-13-28-2)15-19-8-10-25(11-9-19)18-21-6-4-5-7-22(21)23/h4-7,14,17,19H,3,8-13,15-16,18H2,1-2H3
InChIKeyJAFJEBOQDVXZJM-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.40
Rot. Bonds10

About N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine

N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 26320719) has the molecular formula C22H33FN4O and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID26320719
Molecular FormulaC22H33FN4O
Molecular Weight388.53 g/mol
Exact Mass388.26
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCn1cc(CN(CCOC)CC2CCN(Cc3ccccc3F)CC2)cn1
InChIInChI=1S/C22H33FN4O/c1-3-27-17-20(14-24-27)16-26(12-13-28-2)15-19-8-10-25(11-9-19)18-21-6-4-5-7-22(21)23/h4-7,14,17,19H,3,8-13,15-16,18H2,1-2H3
InChIKeyJAFJEBOQDVXZJM-UHFFFAOYSA-N
XLogP3.40
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine (CID 26320719) is N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is CCn1cc(CN(CCOC)CC2CCN(Cc3ccccc3F)CC2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is JAFJEBOQDVXZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O/c1-3-27-17-20(14-24-27)16-26(12-13-28-2)15-19-8-10-25(11-9-19)18-21-6-4-5-7-22(21)23/h4-7,14,17,19H,3,8-13,15-16,18H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 388.53 g/mol, XLogP of 3.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 26320719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).