4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride

C14H21ClN2O — CID 121184211

IUPAC4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCC(=C2CC2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-14(11(2)17-15-10)9-16-7-5-13(6-8-16)12-3-4-12;/h3-9H2,1-2H3;1H
InChIKeyVRQSICZLCWVQMZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.40
Rot. Bonds2

About 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride

4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride (PubChem CID 121184211) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
PubChem CID121184211
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
SMILESCc1noc(C)c1CN1CCC(=C2CC2)CC1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-14(11(2)17-15-10)9-16-7-5-13(6-8-16)12-3-4-12;/h3-9H2,1-2H3;1H
InChIKeyVRQSICZLCWVQMZ-UHFFFAOYSA-N
XLogP3.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]acetonitrile
CID 82143610
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-(4-cyclopropylidenepiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121184167
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34782912
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503167
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-diethylpiperazine-1-carboxamide
CID 51078843
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]morpholine
CID 134076251
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119857198

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The IUPAC name of 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride (CID 121184211) is 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride.
What is the SMILES notation for 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The canonical SMILES for 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride is Cc1noc(C)c1CN1CCC(=C2CC2)CC1.Cl.
What is the InChIKey of 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
The InChIKey is VRQSICZLCWVQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-14(11(2)17-15-10)9-16-7-5-13(6-8-16)12-3-4-12;/h3-9H2,1-2H3;1H.
What are the key properties of 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride?
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride is sourced from PubChem (CID 121184211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).