4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol

C9H15N3O2 — CID 82398918

IUPAC4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol
SMILESNC(c1cnco1)C1(O)CCNCC1
InChIInChI=1S/C9H15N3O2/c10-8(7-5-12-6-14-7)9(13)1-3-11-4-2-9/h5-6,8,11,13H,1-4,10H2
InChIKeyTTXUPQZPKXNVMX-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.21
Rot. Bonds2

About 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol

4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 82398918) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID82398918
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol
SMILESNC(c1cnco1)C1(O)CCNCC1
InChIInChI=1S/C9H15N3O2/c10-8(7-5-12-6-14-7)9(13)1-3-11-4-2-9/h5-6,8,11,13H,1-4,10H2
InChIKeyTTXUPQZPKXNVMX-UHFFFAOYSA-N
XLogP-0.21
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol (CID 82398918) is 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol is NC(c1cnco1)C1(O)CCNCC1.
What is the InChIKey of 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is TTXUPQZPKXNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8(7-5-12-6-14-7)9(13)1-3-11-4-2-9/h5-6,8,11,13H,1-4,10H2.
What are the key properties of 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol?
4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 197.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(1,3-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 82398918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).