4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

C17H30N4O — CID 126459968

IUPAC4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCCCn1cc(CN2CCCC(N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H30N4O/c1-3-6-21-13-16(15(2)18-21)12-19-7-4-5-17(14-19)20-8-10-22-11-9-20/h13,17H,3-12,14H2,1-2H3
InChIKeyXKPLGXHKGBQZHM-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.90
Rot. Bonds5

About 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 126459968) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
PubChem CID126459968
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCCCn1cc(CN2CCCC(N3CCOCC3)C2)c(C)n1
InChIInChI=1S/C17H30N4O/c1-3-6-21-13-16(15(2)18-21)12-19-7-4-5-17(14-19)20-8-10-22-11-9-20/h13,17H,3-12,14H2,1-2H3
InChIKeyXKPLGXHKGBQZHM-UHFFFAOYSA-N
XLogP1.90
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190633
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190708
1'-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1,4'-bipiperidin-4-ol
CID 70737725
2-[3-methyl-4-({4-[1-(1-pyrrolidinyl)ethyl]-1-piperidinyl}methyl)-1H-pyrazol-1-yl]ethanol
CID 70767261
2-{4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]-3-methyl-1H-pyrazol-1-yl}ethanol
CID 70778501
1-(2-Methoxyethyl)-9-[(1-methylpyrazol-3-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396281
1-((1-Methyl-1H-pyrazol-3-yl)methyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 118742073
(2R*,6S*)-4-{1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-2,6-dimethylmorpholine
CID 70772971
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 52379211
2-{3-methyl-4-[(3-morpholin-4-ylazetidin-1-yl)methyl]-1H-pyrazol-1-yl}ethanol
CID 77091141
(3S*,4S*)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
CID 77091611

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (CID 126459968) is 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is CCCn1cc(CN2CCCC(N3CCOCC3)C2)c(C)n1.
What is the InChIKey of 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is XKPLGXHKGBQZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-6-21-13-16(15(2)18-21)12-19-7-4-5-17(14-19)20-8-10-22-11-9-20/h13,17H,3-12,14H2,1-2H3.
What are the key properties of 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 306.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 126459968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).