4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine

C17H30N4O — CID 45224759

IUPAC4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCC(C)c1cc(CN2CCCCC2CN2CCOCC2)[nH]n1
InChIInChI=1S/C17H30N4O/c1-14(2)17-11-15(18-19-17)12-21-6-4-3-5-16(21)13-20-7-9-22-10-8-20/h11,14,16H,3-10,12-13H2,1-2H3,(H,18,19)
InChIKeyLGFXBGGFYJMVAG-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.22
Rot. Bonds5

About 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine

4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine (PubChem CID 45224759) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
PubChem CID45224759
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine
SMILESCC(C)c1cc(CN2CCCCC2CN2CCOCC2)[nH]n1
InChIInChI=1S/C17H30N4O/c1-14(2)17-11-15(18-19-17)12-21-6-4-3-5-16(21)13-20-7-9-22-10-8-20/h11,14,16H,3-10,12-13H2,1-2H3,(H,18,19)
InChIKeyLGFXBGGFYJMVAG-UHFFFAOYSA-N
XLogP2.22
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine with MolForge

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Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-propylmorpholine
CID 50970056
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethoxy)piperidine
CID 77084666
1-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-4-(2-methoxyethyl)piperazine
CID 77097114
1-[(6S)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
CID 95714757
(2R)-2-(3-methoxypropyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine
CID 96369008
(2R)-3-methyl-2-[methyl-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]amino]butan-1-ol
CID 124751048
1-[[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 164636403

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine (CID 45224759) is 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine is CC(C)c1cc(CN2CCCCC2CN2CCOCC2)[nH]n1.
What is the InChIKey of 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
The InChIKey is LGFXBGGFYJMVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)17-11-15(18-19-17)12-21-6-4-3-5-16(21)13-20-7-9-22-10-8-20/h11,14,16H,3-10,12-13H2,1-2H3,(H,18,19).
What are the key properties of 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine?
4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine has a molecular weight of 306.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-2-yl]methyl]morpholine is sourced from PubChem (CID 45224759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).