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

C11H20ClN3O — CID 120838868

IUPACN-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cocn2)CC1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-12-6-10-2-4-14(5-3-10)7-11-8-15-9-13-11;/h8-10,12H,2-7H2,1H3;1H
InChIKeyAMFJIRAVCVGQTH-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.53
Rot. Bonds4

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

N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120838868) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
PubChem CID120838868
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC NameN-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(Cc2cocn2)CC1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-12-6-10-2-4-14(5-3-10)7-11-8-15-9-13-11;/h8-10,12H,2-7H2,1H3;1H
InChIKeyAMFJIRAVCVGQTH-UHFFFAOYSA-N
XLogP1.53
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 130694081
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methanamine
CID 63249054
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 169242095
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324311
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
CID 63249055
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride (CID 120838868) is N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(Cc2cocn2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is AMFJIRAVCVGQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.ClH/c1-12-6-10-2-4-14(5-3-10)7-11-8-15-9-13-11;/h8-10,12H,2-7H2,1H3;1H.
What are the key properties of N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120838868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).