[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride

C10H18ClN3O — CID 130694081

IUPAC[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cocn2)CC1
InChIInChI=1S/C10H17N3O.ClH/c11-5-9-1-3-13(4-2-9)6-10-7-14-8-12-10;/h7-9H,1-6,11H2;1H
InChIKeyCYYXEILGEJHTRI-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.27
Rot. Bonds3

About [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride

[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 130694081) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID130694081
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cocn2)CC1
InChIInChI=1S/C10H17N3O.ClH/c11-5-9-1-3-13(4-2-9)6-10-7-14-8-12-10;/h7-9H,1-6,11H2;1H
InChIKeyCYYXEILGEJHTRI-UHFFFAOYSA-N
XLogP1.27
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 169242095
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324311
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
CID 123687188
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 172891381
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 131160294
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (CID 130694081) is [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2cocn2)CC1.
What is the InChIKey of [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CYYXEILGEJHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.ClH/c11-5-9-1-3-13(4-2-9)6-10-7-14-8-12-10;/h7-9H,1-6,11H2;1H.
What are the key properties of [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 130694081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).