3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine

C15H28N4O — CID 79732713

IUPAC3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1nn(C)c(C)c1CN1CCC(OCCCN)CC1
InChIInChI=1S/C15H28N4O/c1-12-15(13(2)18(3)17-12)11-19-8-5-14(6-9-19)20-10-4-7-16/h14H,4-11,16H2,1-3H3
InChIKeyMYOSWVKSWYQGFR-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.37
Rot. Bonds6

About 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79732713) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79732713
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESCc1nn(C)c(C)c1CN1CCC(OCCCN)CC1
InChIInChI=1S/C15H28N4O/c1-12-15(13(2)18(3)17-12)11-19-8-5-14(6-9-19)20-10-4-7-16/h14H,4-11,16H2,1-3H3
InChIKeyMYOSWVKSWYQGFR-UHFFFAOYSA-N
XLogP1.37
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264
3-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 83090694
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63905513
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735044
N-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 79238263
3-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736402
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]-6-methylpyridin-3-ol
CID 79731898
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79732713) is 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine is Cc1nn(C)c(C)c1CN1CCC(OCCCN)CC1.
What is the InChIKey of 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is MYOSWVKSWYQGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12-15(13(2)18(3)17-12)11-19-8-5-14(6-9-19)20-10-4-7-16/h14H,4-11,16H2,1-3H3.
What are the key properties of 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).